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SummaryGeometryRelated PDB entries

X4D

Summary
Name:7-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine
Formula:C22 H19 N5
Formal charge:0
Formula weight:353.42 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine
OpenEye OEToolkits1.7.67-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(n2ncccc2c1)CCc5nc3cc(ccc3n5c4ccccc4)C
InChIInChI1.03InChI=1S/C22H19N5/c1-16-9-10-20-19(14-16)25-22(26(20)17-6-3-2-4-7-17)12-11-21-23-15-18-8-5-13-24-27(18)21/h2-10,13-15H,11-12H2,1H3
InChIKeyInChI1.03UVMQXAHTUGJOHF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2n(c(CCc3ncc4cccnn34)nc2c1)c5ccccc5
SMILESCACTVS3.385Cc1ccc2n(c(CCc3ncc4cccnn34)nc2c1)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5
SMILESOpenEye OEToolkits1.7.6Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5

227344

PDB entries from 2024-11-13

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