5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
type: datablock
datablock name: H3N
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

H3N
type: chem comp
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
chem comp.id: H3N
chem comp.formula: C23 H17 N3 O2
chem comp.formula weight: 367.400
chem comp.name: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
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: 2018-11-14
chem comp.pdbx model coordinates db code: 6I5H
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2019-01-11
chem comp.pdbx processing site: EBI
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: H3N
chem comp.type: non-polymer

C11,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.729
chem comp atom.model cartn y: 16.065
chem comp atom.model cartn z: 19.162
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.599
chem comp atom.pdbx model cartn y ideal: -0.676
chem comp atom.pdbx model cartn z ideal: 1.981
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.626
chem comp atom.model cartn y: 16.892
chem comp atom.model cartn z: 19.211
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.640
chem comp atom.pdbx model cartn y ideal: 0.036
chem comp atom.pdbx model cartn z ideal: 2.541
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.161
chem comp atom.model cartn y: 16.398
chem comp atom.model cartn z: 16.927
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.123
chem comp atom.pdbx model cartn y ideal: -0.775
chem comp atom.pdbx model cartn z ideal: 0.834
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.807
chem comp atom.model cartn y: 15.058
chem comp atom.model cartn z: 13.784
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.661
chem comp atom.pdbx model cartn y ideal: 1.504
chem comp atom.pdbx model cartn z ideal: -1.314
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.607
chem comp atom.model cartn y: 11.290
chem comp atom.model cartn z: 12.804
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.246
chem comp atom.pdbx model cartn y ideal: 4.460
chem comp atom.pdbx model cartn z ideal: 0.782
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: N
chem comp atom.comp id: H3N
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.924
chem comp atom.model cartn y: 11.059
chem comp atom.model cartn z: 13.368
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.438
chem comp atom.pdbx model cartn y ideal: 3.103
chem comp atom.pdbx model cartn z ideal: 0.264
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N1,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: N1
chem comp atom.comp id: H3N
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.667
chem comp atom.model cartn y: 10.007
chem comp atom.model cartn z: 12.955
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N1
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.574
chem comp atom.pdbx model cartn y ideal: 2.634
chem comp atom.pdbx model cartn z ideal: -0.407
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C3,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.775
chem comp atom.model cartn y: 10.078
chem comp atom.model cartn z: 13.682
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.384
chem comp atom.pdbx model cartn y ideal: 1.379
chem comp atom.pdbx model cartn z ideal: -0.717
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.755
chem comp atom.model cartn y: 11.184
chem comp atom.model cartn z: 14.556
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: H3N
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: 1.001
chem comp atom.pdbx model cartn z ideal: -0.251
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C1,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.542
chem comp atom.model cartn y: 11.778
chem comp atom.model cartn z: 14.314
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.554
chem comp atom.pdbx model cartn y ideal: 2.091
chem comp atom.pdbx model cartn z ideal: 0.356
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.740
chem comp atom.model cartn y: 11.644
chem comp atom.model cartn z: 15.574
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.487
chem comp atom.pdbx model cartn y ideal: -0.338
chem comp atom.pdbx model cartn z ideal: -0.390
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N2,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: N2
chem comp atom.comp id: H3N
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.428
chem comp atom.model cartn y: 12.813
chem comp atom.model cartn z: 16.146
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N2
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.236
chem comp atom.pdbx model cartn y ideal: -0.521
chem comp atom.pdbx model cartn z ideal: 0.005
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C22,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.278
chem comp atom.model cartn y: 13.290
chem comp atom.model cartn z: 17.066
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.645
chem comp atom.pdbx model cartn y ideal: -1.703
chem comp atom.pdbx model cartn z ideal: -0.104
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.390
chem comp atom.model cartn y: 12.618
chem comp atom.model cartn z: 17.444
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.331
chem comp atom.pdbx model cartn y ideal: -2.803
chem comp atom.pdbx model cartn z ideal: -0.644
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.722
chem comp atom.model cartn y: 11.397
chem comp atom.model cartn z: 16.909
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.648
chem comp atom.pdbx model cartn y ideal: -2.636
chem comp atom.pdbx model cartn z ideal: -1.065
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.876
chem comp atom.model cartn y: 10.903
chem comp atom.model cartn z: 15.925
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.225
chem comp atom.pdbx model cartn y ideal: -1.388
chem comp atom.pdbx model cartn z ideal: -0.941
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C9,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.175
chem comp atom.model cartn y: 14.420
chem comp atom.model cartn z: 17.973
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.303
chem comp atom.pdbx model cartn y ideal: -2.211
chem comp atom.pdbx model cartn z ideal: 0.235
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.286
chem comp atom.model cartn y: 14.340
chem comp atom.model cartn z: 18.748
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.299
chem comp atom.pdbx model cartn y ideal: -3.518
chem comp atom.pdbx model cartn z ideal: -0.116
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: O
chem comp atom.comp id: H3N
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -20.054
chem comp atom.model cartn y: 13.263
chem comp atom.model cartn z: 18.457
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: O
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.491
chem comp atom.pdbx model cartn y ideal: -3.857
chem comp atom.pdbx model cartn z ideal: -0.630
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C10,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.069
chem comp atom.model cartn y: 15.401
chem comp atom.model cartn z: 17.986
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.814
chem comp atom.pdbx model cartn y ideal: -1.445
chem comp atom.pdbx model cartn z ideal: 0.839
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.253
chem comp atom.model cartn y: 15.558
chem comp atom.model cartn z: 16.868
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.083
chem comp atom.pdbx model cartn y ideal: -1.492
chem comp atom.pdbx model cartn z ideal: 0.265
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.824
chem comp atom.model cartn y: 17.070
chem comp atom.model cartn z: 18.094
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.901
chem comp atom.pdbx model cartn y ideal: -0.016
chem comp atom.pdbx model cartn z ideal: 1.976
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O1,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: O1
chem comp atom.comp id: H3N
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.401
chem comp atom.model cartn y: 16.639
chem comp atom.model cartn z: 15.778
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O1
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.364
chem comp atom.pdbx model cartn y ideal: -0.823
chem comp atom.pdbx model cartn z ideal: 0.281
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C15,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.493
chem comp atom.model cartn y: 15.680
chem comp atom.model cartn z: 15.355
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.856
chem comp atom.pdbx model cartn y ideal: 0.313
chem comp atom.pdbx model cartn z ideal: -0.280
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.255
chem comp atom.model cartn y: 14.520
chem comp atom.model cartn z: 16.082
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.052
chem comp atom.pdbx model cartn y ideal: 1.438
chem comp atom.pdbx model cartn z ideal: -0.392
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.293
chem comp atom.model cartn y: 13.634
chem comp atom.model cartn z: 15.638
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.555
chem comp atom.pdbx model cartn y ideal: 2.591
chem comp atom.pdbx model cartn z ideal: -0.963
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.560
chem comp atom.model cartn y: 13.906
chem comp atom.model cartn z: 14.504
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.858
chem comp atom.pdbx model cartn y ideal: 2.624
chem comp atom.pdbx model cartn z ideal: -1.423
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: H3N
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.785
chem comp atom.model cartn y: 15.948
chem comp atom.model cartn z: 14.199
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.163
chem comp atom.pdbx model cartn y ideal: 0.349
chem comp atom.pdbx model cartn z ideal: -0.743
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H1,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.336
chem comp atom.model cartn y: 15.931
chem comp atom.model cartn z: 20.045
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.385
chem comp atom.pdbx model cartn y ideal: -0.634
chem comp atom.pdbx model cartn z ideal: 2.426
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.385
chem comp atom.model cartn y: 17.406
chem comp atom.model cartn z: 20.129
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.471
chem comp atom.pdbx model cartn y ideal: 0.634
chem comp atom.pdbx model cartn z ideal: 3.424
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.235
chem comp atom.model cartn y: 15.267
chem comp atom.model cartn z: 12.892
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.680
chem comp atom.pdbx model cartn y ideal: 1.533
chem comp atom.pdbx model cartn z ideal: -1.671
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.384
chem comp atom.model cartn y: 10.511
chem comp atom.model cartn z: 12.060
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.615
chem comp atom.pdbx model cartn y ideal: 4.514
chem comp atom.pdbx model cartn z ideal: 1.806
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.584
chem comp atom.model cartn y: 12.277
chem comp atom.model cartn z: 12.319
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.794
chem comp atom.pdbx model cartn y ideal: 5.168
chem comp atom.pdbx model cartn z ideal: 0.160
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.854
chem comp atom.model cartn y: 11.257
chem comp atom.model cartn z: 13.605
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.185
chem comp atom.pdbx model cartn y ideal: 4.709
chem comp atom.pdbx model cartn z ideal: 0.765
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.592
chem comp atom.model cartn y: 9.375
chem comp atom.model cartn z: 13.613
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.083
chem comp atom.pdbx model cartn y ideal: 0.743
chem comp atom.pdbx model cartn z ideal: -1.240
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.156
chem comp atom.model cartn y: 12.663
chem comp atom.model cartn z: 14.798
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.581
chem comp atom.pdbx model cartn y ideal: 2.133
chem comp atom.pdbx model cartn z ideal: 0.823
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: -20.594
chem comp atom.model cartn y: 10.851
chem comp atom.model cartn z: 17.236
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.203
chem comp atom.pdbx model cartn y ideal: -3.462
chem comp atom.pdbx model cartn z ideal: -1.485
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.090
chem comp atom.model cartn y: 9.963
chem comp atom.model cartn z: 15.438
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.243
chem comp atom.pdbx model cartn y ideal: -1.225
chem comp atom.pdbx model cartn z ideal: -1.263
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.532
chem comp atom.model cartn y: 15.059
chem comp atom.model cartn z: 19.516
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.540
chem comp atom.pdbx model cartn y ideal: -4.189
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.475
chem comp atom.model cartn y: 15.023
chem comp atom.model cartn z: 15.957
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.255
chem comp atom.pdbx model cartn y ideal: -2.083
chem comp atom.pdbx model cartn z ideal: -0.622
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.959
chem comp atom.model cartn y: 17.715
chem comp atom.model cartn z: 18.131
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.712
chem comp atom.pdbx model cartn y ideal: 0.542
chem comp atom.pdbx model cartn z ideal: 2.418
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.815
chem comp atom.model cartn y: 14.314
chem comp atom.model cartn z: 16.982
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.034
chem comp atom.pdbx model cartn y ideal: 1.413
chem comp atom.pdbx model cartn z ideal: -0.032
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.114
chem comp atom.model cartn y: 12.720
chem comp atom.model cartn z: 16.185
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.930
chem comp atom.pdbx model cartn y ideal: 3.467
chem comp atom.pdbx model cartn z ideal: -1.050
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: -10.793
chem comp atom.model cartn y: 13.219
chem comp atom.model cartn z: 14.178
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.249
chem comp atom.pdbx model cartn y ideal: 3.526
chem comp atom.pdbx model cartn z ideal: -1.870
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,H3N
type: chem comp atom
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: H3N
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.991
chem comp atom.model cartn y: 16.840
chem comp atom.model cartn z: 13.626
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: H3N
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.791
chem comp atom.pdbx model cartn y ideal: -0.526
chem comp atom.pdbx model cartn z ideal: -0.658
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C,N,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: N
chem comp bond.comp id: H3N
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: sing

N1,N,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: N
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N1,C3,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C3
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N,C1,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: C1
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,C2,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C2
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,C16,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C16
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C17,C18,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C18
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,C15,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C15
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C2,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C18,C19,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C19
chem comp bond.comp id: H3N
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

C2,C4,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C4
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,O1,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: O1
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,C20,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C20
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C4,C5,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C4,N2,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: N2
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,C20,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C20
chem comp bond.comp id: H3N
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: sing

O1,C14,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C14
chem comp bond.comp id: H3N
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

C5,C6,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: H3N
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

N2,C22,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: C22
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C21,C14,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C14
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C21,C10,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C10
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,C7,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C14,C13,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C13
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,C7,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C7
chem comp bond.comp id: H3N
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: sing

C22,C9,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C9
chem comp bond.comp id: H3N
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

C7,O,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,C10,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C10
chem comp bond.comp id: H3N
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

C9,C8,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C8
chem comp bond.comp id: H3N
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: doub

C10,C11,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C11
chem comp bond.comp id: H3N
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

C13,C12,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C12
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

O,C8,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: O
chem comp bond.atom id 2: C8
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,C12,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C12
chem comp bond.comp id: H3N
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: sing

C11,H1,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H1
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,H2,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H2
chem comp bond.comp id: H3N
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

C17,H3,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H3
chem comp bond.comp id: H3N
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

C,H4,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: H4
chem comp bond.comp id: H3N
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

C,H5,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: H5
chem comp bond.comp id: H3N
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

C,H6,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: H6
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H7,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H7
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H8,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H8
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,H9,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H9
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,H10,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H10
chem comp bond.comp id: H3N
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,H11,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H11
chem comp bond.comp id: H3N
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

C21,H12,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H12
chem comp bond.comp id: H3N
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

C13,H13,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H13
chem comp bond.comp id: H3N
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

C20,H14,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H14
chem comp bond.comp id: H3N
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

C19,H15,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H15
chem comp bond.comp id: H3N
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

C18,H16,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H16
chem comp bond.comp id: H3N
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

C16,H17,H3N
type: chem comp bond
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/H3N/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H17
chem comp bond.comp id: H3N
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

Create component,H3N,2018-11-14
type: pdbx chem comp audit
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: H3N
pdbx chem comp audit.date: 2018-11-14
pdbx chem comp audit.processing site: EBI

Initial release,H3N,2019-01-16
type: pdbx chem comp audit
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: H3N
pdbx chem comp audit.date: 2019-01-16
pdbx chem comp audit.processing site: RCSB

H3N,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: H3N
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/C23H17N3O2/c1-26-14-17(13-24-26)21-10-11-22-23(25-21)20(15-27-22)16-6-5-9-19(12-16)28-18-7-3-2-4-8-18/h2-15H,1H3

H3N,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: H3N
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: RDHFKBABHOAOCH-UHFFFAOYSA-N

H3N,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: H3N
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: Cn1cc(cn1)c2ccc3occ(c4cccc(Oc5ccccc5)c4)c3n2

H3N,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: H3N
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: Cn1cc(cn1)c2ccc3occ(c4cccc(Oc5ccccc5)c4)c3n2

H3N,OpenEye OEToolkits,2.0.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: H3N
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: Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5

H3N,OpenEye OEToolkits,2.0.6,SMILES
type: pdbx chem comp descriptor
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: H3N
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: Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5

H3N,OpenEye OEToolkits,2.0.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: H3N
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: 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine