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SummaryGeometryRelated PDB entries

73Y

Summary
Name:6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide
Formula:C29 H18 Br N5 O
Formal charge:0
Formula weight:532.39 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.56-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C29H18BrN5O/c30-22-14-32-28-27(33-15-34-28)25(22)29(36)35-26-20-8-3-2-7-19(20)24-18(9-5-10-21(24)26)17-12-16-6-1-4-11-23(16)31-13-17/h1-15,26H,(H,35,36)(H,32,33,34)/t26-/m1/s1
InChIKeyInChI1.03RAMVCRWNNFBAKK-AREMUKBSSA-N
SMILES_CANONICALCACTVS3.385Brc1cnc2[nH]cnc2c1C(=O)N[C@@H]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6
SMILESCACTVS3.385Brc1cnc2[nH]cnc2c1C(=O)N[CH]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6
SMILES_CANONICALOpenEye OEToolkits2.0.5c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br
SMILESOpenEye OEToolkits2.0.5c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5C4NC(=O)c6c(cnc7c6nc[nH]7)Br

227344

PDB entries from 2024-11-13

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