3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
type: datablock
datablock name: 9U4
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

9U4
type: chem comp
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
chem comp.id: 9U4
chem comp.formula: C27 H33 F2 N7 O2
chem comp.formula weight: 525.593
chem comp.name: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2017-06-09
chem comp.pdbx model coordinates db code: 5VZS
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2018-02-16
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 9U4
chem comp.type: non-polymer

C14,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.918
chem comp atom.model cartn y: 4.692
chem comp atom.model cartn z: 54.677
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.779
chem comp atom.pdbx model cartn y ideal: -2.774
chem comp atom.pdbx model cartn z ideal: 0.763
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.367
chem comp atom.model cartn y: 5.138
chem comp atom.model cartn z: 49.598
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.270
chem comp atom.pdbx model cartn y ideal: 2.554
chem comp atom.pdbx model cartn z ideal: -0.471
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.982
chem comp atom.model cartn y: 4.797
chem comp atom.model cartn z: 50.955
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.290
chem comp atom.pdbx model cartn y ideal: 1.075
chem comp atom.pdbx model cartn z ideal: -0.876
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -10.888
chem comp atom.model cartn y: 4.706
chem comp atom.model cartn z: 51.988
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.280
chem comp atom.pdbx model cartn y ideal: 0.328
chem comp atom.pdbx model cartn z ideal: -0.041
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C9,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.602
chem comp atom.model cartn y: 5.133
chem comp atom.model cartn z: 51.836
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C9
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.266
chem comp atom.pdbx model cartn y ideal: 0.915
chem comp atom.pdbx model cartn z ideal: 0.644
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -8.937
chem comp atom.model cartn y: 4.848
chem comp atom.model cartn z: 53.034
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.540
chem comp atom.pdbx model cartn y ideal: -0.090
chem comp atom.pdbx model cartn z ideal: 1.290
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.251
chem comp atom.model cartn y: 3.625
chem comp atom.model cartn z: 53.795
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.109
chem comp atom.pdbx model cartn y ideal: -2.010
chem comp atom.pdbx model cartn z ideal: -0.383
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N2,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N2
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.472
chem comp atom.model cartn y: 8.266
chem comp atom.model cartn z: 49.460
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N2
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.087
chem comp atom.pdbx model cartn y ideal: 4.284
chem comp atom.pdbx model cartn z ideal: -1.155
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C3,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: -10.468
chem comp atom.model cartn y: 7.376
chem comp atom.model cartn z: 49.280
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.393
chem comp atom.pdbx model cartn y ideal: 3.952
chem comp atom.pdbx model cartn z ideal: -1.198
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C1,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.576
chem comp atom.model cartn y: 9.631
chem comp atom.model cartn z: 48.939
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.584
chem comp atom.pdbx model cartn y ideal: 5.386
chem comp atom.pdbx model cartn z ideal: -1.979
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.164
chem comp atom.model cartn y: 4.085
chem comp atom.model cartn z: 55.333
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.663
chem comp atom.pdbx model cartn y ideal: -3.880
chem comp atom.pdbx model cartn z ideal: 0.180
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.143
chem comp atom.model cartn y: 1.908
chem comp atom.model cartn z: 55.395
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.253
chem comp atom.pdbx model cartn y ideal: -4.093
chem comp atom.pdbx model cartn z ideal: -1.749
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.900
chem comp atom.model cartn y: 2.398
chem comp atom.model cartn z: 54.645
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.313
chem comp atom.pdbx model cartn y ideal: -2.996
chem comp atom.pdbx model cartn z ideal: -1.243
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: -6.533
chem comp atom.model cartn y: 4.637
chem comp atom.model cartn z: 52.496
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.559
chem comp atom.pdbx model cartn y ideal: 0.412
chem comp atom.pdbx model cartn z ideal: 3.525
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.329
chem comp atom.model cartn y: 4.293
chem comp atom.model cartn z: 53.371
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.418
chem comp atom.pdbx model cartn y ideal: 1.547
chem comp atom.pdbx model cartn z ideal: 3.858
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C22,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.889
chem comp atom.model cartn y: 5.438
chem comp atom.model cartn z: 54.275
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.846
chem comp atom.pdbx model cartn y ideal: 1.052
chem comp atom.pdbx model cartn z ideal: 3.632
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: -6.054
chem comp atom.model cartn y: 6.139
chem comp atom.model cartn z: 54.929
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.982
chem comp atom.pdbx model cartn y ideal: 0.441
chem comp atom.pdbx model cartn z ideal: 2.262
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: -7.340
chem comp atom.model cartn y: 5.970
chem comp atom.model cartn z: 54.451
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.876
chem comp atom.pdbx model cartn y ideal: -0.010
chem comp atom.pdbx model cartn z ideal: 1.557
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C25,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: -8.386
chem comp atom.model cartn y: 6.640
chem comp atom.model cartn z: 55.083
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.033
chem comp atom.pdbx model cartn y ideal: -0.575
chem comp atom.pdbx model cartn z ideal: 0.295
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C26,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: -8.171
chem comp atom.model cartn y: 7.476
chem comp atom.model cartn z: 56.165
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C26
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.288
chem comp atom.pdbx model cartn y ideal: -0.687
chem comp atom.pdbx model cartn z ideal: -0.264
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C27,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: -6.860
chem comp atom.model cartn y: 7.651
chem comp atom.model cartn z: 56.649
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.401
chem comp atom.pdbx model cartn y ideal: -0.232
chem comp atom.pdbx model cartn z ideal: 0.440
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C28,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C28
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.823
chem comp atom.model cartn y: 6.969
chem comp atom.model cartn z: 56.019
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C28
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.242
chem comp atom.pdbx model cartn y ideal: 0.331
chem comp atom.pdbx model cartn z ideal: 1.703
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C29,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C29
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: -6.519
chem comp atom.model cartn y: 8.507
chem comp atom.model cartn z: 57.819
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C29
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.756
chem comp atom.pdbx model cartn y ideal: -0.349
chem comp atom.pdbx model cartn z ideal: -0.156
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C30,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C30
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: -6.804
chem comp atom.model cartn y: 9.860
chem comp atom.model cartn z: 58.053
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C30
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.168
chem comp atom.pdbx model cartn y ideal: 0.178
chem comp atom.pdbx model cartn z ideal: -1.396
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C33,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C33
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C24
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.790
chem comp atom.model cartn y: 8.073
chem comp atom.model cartn z: 58.897
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C33
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.830
chem comp atom.pdbx model cartn y ideal: -0.979
chem comp atom.pdbx model cartn z ideal: 0.400
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C34,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C34
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.954
chem comp atom.model cartn y: 9.050
chem comp atom.model cartn z: 61.049
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C34
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.214
chem comp atom.pdbx model cartn y ideal: -1.389
chem comp atom.pdbx model cartn z ideal: -0.257
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C35,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C35
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C26
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.357
chem comp atom.model cartn y: 8.177
chem comp atom.model cartn z: 56.779
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C35
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.455
chem comp atom.pdbx model cartn y ideal: -1.299
chem comp atom.pdbx model cartn z ideal: -1.630
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C38,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C38
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: C27
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.096
chem comp atom.model cartn y: 5.767
chem comp atom.model cartn z: 50.554
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C38
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.019
chem comp atom.pdbx model cartn y ideal: 2.404
chem comp atom.pdbx model cartn z ideal: 0.670
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

F36,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: F36
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: F1
chem comp atom.charge: 0
chem comp atom.model cartn x: -10.547
chem comp atom.model cartn y: 7.503
chem comp atom.model cartn z: 56.491
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F36
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.813
chem comp atom.pdbx model cartn y ideal: -0.304
chem comp atom.pdbx model cartn z ideal: -2.546
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

F37,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: F37
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: F2
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.453
chem comp atom.model cartn y: 9.474
chem comp atom.model cartn z: 56.260
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F37
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.458
chem comp atom.pdbx model cartn y ideal: -2.274
chem comp atom.pdbx model cartn z ideal: -1.585
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

N11,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N11
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.791
chem comp atom.model cartn y: 4.280
chem comp atom.model cartn z: 53.859
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N11
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.104
chem comp atom.pdbx model cartn y ideal: -1.243
chem comp atom.pdbx model cartn z ideal: 1.004
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N12,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N12
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.022
chem comp atom.model cartn y: 4.184
chem comp atom.model cartn z: 53.219
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N12
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.203
chem comp atom.pdbx model cartn y ideal: -0.998
chem comp atom.pdbx model cartn z ideal: 0.168
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N19,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N19
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: N4
chem comp atom.charge: 0
chem comp atom.model cartn x: -7.601
chem comp atom.model cartn y: 5.132
chem comp atom.model cartn z: 53.348
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N19
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.412
chem comp atom.pdbx model cartn y ideal: 0.098
chem comp atom.pdbx model cartn z ideal: 2.097
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N31,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N31
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: N5
chem comp atom.charge: 0
chem comp atom.model cartn x: -6.314
chem comp atom.model cartn y: 10.213
chem comp atom.model cartn z: 59.220
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N31
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.425
chem comp atom.pdbx model cartn y ideal: -0.131
chem comp atom.pdbx model cartn z ideal: -1.571
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N32,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N32
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: N6
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.652
chem comp atom.model cartn y: 9.102
chem comp atom.model cartn z: 59.762
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N32
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.864
chem comp atom.pdbx model cartn y ideal: -0.857
chem comp atom.pdbx model cartn z ideal: -0.458
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N5,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N5
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: N7
chem comp atom.charge: 0
chem comp atom.model cartn x: -10.307
chem comp atom.model cartn y: 6.137
chem comp atom.model cartn z: 49.786
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N5
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.875
chem comp atom.pdbx model cartn y ideal: 3.008
chem comp atom.pdbx model cartn z ideal: -0.366
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

O16,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O16
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.719
chem comp atom.model cartn y: 2.984
chem comp atom.model cartn z: 56.134
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O16
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.867
chem comp atom.pdbx model cartn y ideal: -4.744
chem comp atom.pdbx model cartn z ideal: -0.634
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O4,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O4
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.508
chem comp atom.model cartn y: 7.658
chem comp atom.model cartn z: 48.677
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O4
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.135
chem comp atom.pdbx model cartn y ideal: 4.505
chem comp atom.pdbx model cartn z ideal: -1.986
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H1,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.214
chem comp atom.model cartn y: 5.021
chem comp atom.model cartn z: 55.455
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.015
chem comp atom.pdbx model cartn y ideal: -3.217
chem comp atom.pdbx model cartn z ideal: 1.402
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.209
chem comp atom.model cartn y: 5.554
chem comp atom.model cartn z: 54.058
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.392
chem comp atom.pdbx model cartn y ideal: -2.089
chem comp atom.pdbx model cartn z ideal: 1.349
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.143
chem comp atom.model cartn y: 5.546
chem comp atom.model cartn z: 48.934
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.790
chem comp atom.pdbx model cartn y ideal: 3.145
chem comp atom.pdbx model cartn z ideal: -1.225
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: -10.941
chem comp atom.model cartn y: 4.229
chem comp atom.model cartn z: 49.148
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.766
chem comp atom.pdbx model cartn y ideal: 2.674
chem comp atom.pdbx model cartn z ideal: 0.493
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.695
chem comp atom.model cartn y: 5.583
chem comp atom.model cartn z: 51.243
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.283
chem comp atom.pdbx model cartn y ideal: 0.661
chem comp atom.pdbx model cartn z ideal: -0.703
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.506
chem comp atom.model cartn y: 3.832
chem comp atom.model cartn z: 50.889
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.032
chem comp atom.pdbx model cartn y ideal: 0.981
chem comp atom.pdbx model cartn z ideal: -1.931
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.946
chem comp atom.model cartn y: 3.328
chem comp atom.model cartn z: 52.995
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.871
chem comp atom.pdbx model cartn y ideal: -1.525
chem comp atom.pdbx model cartn z ideal: -0.993
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: -8.649
chem comp atom.model cartn y: 7.990
chem comp atom.model cartn z: 49.957
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.480
chem comp atom.pdbx model cartn y ideal: 3.792
chem comp atom.pdbx model cartn z ideal: -0.580
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: -8.664
chem comp atom.model cartn y: 10.191
chem comp atom.model cartn z: 49.192
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.098
chem comp atom.pdbx model cartn y ideal: 6.307
chem comp atom.pdbx model cartn z ideal: -1.706
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.695
chem comp atom.model cartn y: 9.598
chem comp atom.model cartn z: 47.846
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.487
chem comp atom.pdbx model cartn y ideal: 5.505
chem comp atom.pdbx model cartn z ideal: -1.812
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: -10.448
chem comp atom.model cartn y: 10.129
chem comp atom.model cartn z: 49.388
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.766
chem comp atom.pdbx model cartn y ideal: 5.166
chem comp atom.pdbx model cartn z ideal: -3.031
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.662
chem comp atom.model cartn y: 4.835
chem comp atom.model cartn z: 55.965
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.109
chem comp atom.pdbx model cartn y ideal: -4.455
chem comp atom.pdbx model cartn z ideal: 0.991
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.864
chem comp atom.model cartn y: 3.732
chem comp atom.model cartn z: 54.561
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.451
chem comp atom.pdbx model cartn y ideal: -3.434
chem comp atom.pdbx model cartn z ideal: -0.426
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.879
chem comp atom.model cartn y: 1.527
chem comp atom.model cartn z: 54.672
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.023
chem comp atom.pdbx model cartn y ideal: -3.650
chem comp atom.pdbx model cartn z ideal: -2.380
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.858
chem comp atom.model cartn y: 1.102
chem comp atom.model cartn z: 56.087
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.684
chem comp atom.pdbx model cartn y ideal: -4.822
chem comp atom.pdbx model cartn z ideal: -2.326
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.529
chem comp atom.model cartn y: 1.595
chem comp atom.model cartn z: 53.991
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.877
chem comp atom.pdbx model cartn y ideal: -2.470
chem comp atom.pdbx model cartn z ideal: -2.092
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.119
chem comp atom.model cartn y: 2.669
chem comp atom.model cartn z: 55.371
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.519
chem comp atom.pdbx model cartn y ideal: -3.443
chem comp atom.pdbx model cartn z ideal: -0.645
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: -6.872
chem comp atom.model cartn y: 3.737
chem comp atom.model cartn z: 51.962
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.321
chem comp atom.pdbx model cartn y ideal: -0.467
chem comp atom.pdbx model cartn z ideal: 4.123
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: -6.252
chem comp atom.model cartn y: 5.411
chem comp atom.model cartn z: 51.767
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.581
chem comp atom.pdbx model cartn y ideal: 0.732
chem comp atom.pdbx model cartn z ideal: 3.728
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.592
chem comp atom.model cartn y: 3.432
chem comp atom.model cartn z: 54.003
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.220
chem comp atom.pdbx model cartn y ideal: 2.401
chem comp atom.pdbx model cartn z ideal: 3.210
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.488
chem comp atom.model cartn y: 4.024
chem comp atom.model cartn z: 52.716
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.294
chem comp atom.pdbx model cartn y ideal: 1.842
chem comp atom.pdbx model cartn z ideal: 4.900
chem comp atom.pdbx ordinal: 59
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H22,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H22
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.234
chem comp atom.model cartn y: 5.035
chem comp atom.model cartn z: 55.061
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H22
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.536
chem comp atom.pdbx model cartn y ideal: 1.891
chem comp atom.pdbx model cartn z ideal: 3.721
chem comp atom.pdbx ordinal: 60
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.331
chem comp atom.model cartn y: 6.169
chem comp atom.model cartn z: 53.672
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H23
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.091
chem comp atom.pdbx model cartn y ideal: 0.304
chem comp atom.pdbx model cartn z ideal: 4.386
chem comp atom.pdbx ordinal: 61
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.393
chem comp atom.model cartn y: 6.503
chem comp atom.model cartn z: 54.718
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H24
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.168
chem comp atom.pdbx model cartn y ideal: -0.927
chem comp atom.pdbx model cartn z ideal: -0.249
chem comp atom.pdbx ordinal: 62
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.814
chem comp atom.model cartn y: 7.088
chem comp atom.model cartn z: 56.386
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H25
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.105
chem comp atom.pdbx model cartn y ideal: 0.683
chem comp atom.pdbx model cartn z ideal: 2.248
chem comp atom.pdbx ordinal: 63
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H26,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H26
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H26
chem comp atom.charge: 0
chem comp atom.model cartn x: -7.342
chem comp atom.model cartn y: 10.510
chem comp atom.model cartn z: 57.379
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H26
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.550
chem comp atom.pdbx model cartn y ideal: 0.738
chem comp atom.pdbx model cartn z ideal: -2.083
chem comp atom.pdbx ordinal: 64
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H27,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H27
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H27
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.393
chem comp atom.model cartn y: 7.077
chem comp atom.model cartn z: 59.032
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H27
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.849
chem comp atom.pdbx model cartn y ideal: -1.485
chem comp atom.pdbx model cartn z ideal: 1.354
chem comp atom.pdbx ordinal: 65
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H28,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H28
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H28
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.023
chem comp atom.model cartn y: 10.030
chem comp atom.model cartn z: 61.544
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H28
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.272
chem comp atom.pdbx model cartn y ideal: -2.398
chem comp atom.pdbx model cartn z ideal: -0.667
chem comp atom.pdbx ordinal: 66
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H29,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H29
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H29
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.418
chem comp atom.model cartn y: 8.283
chem comp atom.model cartn z: 61.687
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H29
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.936
chem comp atom.pdbx model cartn y ideal: -0.749
chem comp atom.pdbx model cartn z ideal: -0.764
chem comp atom.pdbx ordinal: 67
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H30,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H30
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H30
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.896
chem comp atom.model cartn y: 8.797
chem comp atom.model cartn z: 60.882
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H30
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.439
chem comp atom.pdbx model cartn y ideal: -1.417
chem comp atom.pdbx model cartn z ideal: 0.809
chem comp atom.pdbx ordinal: 68
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H31,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H31
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H31
chem comp atom.charge: 0
chem comp atom.model cartn x: -9.207
chem comp atom.model cartn y: 8.221
chem comp atom.model cartn z: 57.868
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H31
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.517
chem comp atom.pdbx model cartn y ideal: -1.758
chem comp atom.pdbx model cartn z ideal: -1.941
chem comp atom.pdbx ordinal: 69
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H32,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H32
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H32
chem comp atom.charge: 0
chem comp atom.model cartn x: -8.486
chem comp atom.model cartn y: 5.049
chem comp atom.model cartn z: 49.986
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H32
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.280
chem comp atom.pdbx model cartn y ideal: 2.807
chem comp atom.pdbx model cartn z ideal: 1.649
chem comp atom.pdbx ordinal: 70
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H33,9U4
type: chem comp atom
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H33
chem comp atom.comp id: 9U4
chem comp atom.alt atom id: H33
chem comp atom.charge: 0
chem comp atom.model cartn x: -8.496
chem comp atom.model cartn y: 6.661
chem comp atom.model cartn z: 50.779
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H33
chem comp atom.pdbx component comp id: 9U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.971
chem comp atom.pdbx model cartn y ideal: 2.610
chem comp atom.pdbx model cartn z ideal: 0.453
chem comp atom.pdbx ordinal: 71
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O4,C3,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: O4
chem comp bond.atom id 2: C3
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C1,N2,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: N2
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,N2,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: N2
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,N5,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: N5
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,N5,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: N5
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,C7,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N5,C38,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: N5
chem comp bond.atom id 2: C38
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C38,C9,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: C9
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,C8,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,C8,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C8
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C9,C10,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C10
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,N12,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: N12
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,N19,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: N19
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,C21,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C21
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,N19,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: N19
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,N11,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: N11
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N12,C13,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: N12
chem comp bond.atom id 2: C13
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N12,N11,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: N12
chem comp bond.atom id 2: N11
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N19,C24,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: N19
chem comp bond.atom id 2: C24
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C22,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C22
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,C18,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C18
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,C14,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C14
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,C23,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C23
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,C23,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C23
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C24,C25,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C25
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,C17,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C17
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,C15,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C15
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,C28,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C28
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,C26,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C26
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C15,O16,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: O16
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,O16,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: O16
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,C27,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C27
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C26,C27,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C27
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,C35,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C35
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

F37,C35,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: F37
chem comp bond.atom id 2: C35
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

F36,C35,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: F36
chem comp bond.atom id 2: C35
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,C29,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C29
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C29,C30,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C30
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C29,C33,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C33
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C30,N31,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: N31
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C33,N32,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: N32
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N31,N32,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: N31
chem comp bond.atom id 2: N32
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N32,C34,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: N32
chem comp bond.atom id 2: C34
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H1,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H1
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H2,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H2
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,H3,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H3
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,H4,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H4
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H5,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H5
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H6,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H6
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,H7,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H7
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N2,H8,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: H8
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H9,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H9
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H10,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H10
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H11,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H11
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H12,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H12
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H13,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H13
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,H14,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H14
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,H15,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H15
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 58
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H16,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H16
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 59
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H17,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H17
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 60
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H18,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H18
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 61
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H19,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H19
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 62
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H20,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H20
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 63
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H21,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H21
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 64
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H22,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H22
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 65
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H23,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H23
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 66
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,H24,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H24
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 67
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,H25,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H25
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 68
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,H26,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H26
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 69
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C33,H27,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H27
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 70
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C34,H28,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: H28
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 71
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C34,H29,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: H29
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 72
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C34,H30,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: H30
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 73
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C35,H31,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: H31
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 74
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C38,H32,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: H32
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 75
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C38,H33,9U4
type: chem comp bond
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/9U4/chem_comp_atom/,
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: H33
chem comp bond.comp id: 9U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 76
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,9U4,2017-06-09
type: pdbx chem comp audit
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 9U4
pdbx chem comp audit.date: 2017-06-09
pdbx chem comp audit.processing site: RCSB

Initial release,9U4,2018-02-21
type: pdbx chem comp audit
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 9U4
pdbx chem comp audit.date: 2018-02-21
pdbx chem comp audit.processing site: RCSB

9U4,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 9U4
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: C1COCCC1n6c2CCN(C(NC)=O)Cc2c(N4CCCc3cc(c(cc34)C(F)F)c5cnn(c5)C)n6

9U4,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 9U4
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)

9U4,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 9U4
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: CQCWHSDMJBAGDC-UHFFFAOYSA-N

9U4,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 9U4
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CNC(=O)N1CCc2n(nc(N3CCCc4cc(c5cnn(C)c5)c(cc34)C(F)F)c2C1)C6CCOCC6

9U4,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 9U4
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CNC(=O)N1CCc2n(nc(N3CCCc4cc(c5cnn(C)c5)c(cc34)C(F)F)c2C1)C6CCOCC6

9U4,OpenEye OEToolkits,2.0.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 9U4
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1

9U4,OpenEye OEToolkits,2.0.6,SMILES
type: pdbx chem comp descriptor
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 9U4
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1

9U4,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 9U4
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

9U4,OpenEye OEToolkits,2.0.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 9U4
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 3-[7-[bis(fluoranyl)methyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]-~{N}-methyl-1-(oxan-4-yl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-5-carboxamide