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5NO

Summary
Name:1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
Synonyms:BMS-433771
Formula:C21 H23 N5 O2
Formal charge:0
Formula weight:377.44 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.41-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H23N5O2/c27-12-4-3-11-24-17-6-2-1-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)28)15-7-8-15/h1-2,5-6,9-10,13,15,27H,3-4,7-8,11-12,14H2
InChIKeyInChI1.03KSHJXDWYTZJUEI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCCCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5ccccc15
SMILESCACTVS3.385OCCCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5ccccc15
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5
SMILESOpenEye OEToolkits2.0.4c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5

222415

數據於2024-07-10公開中

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