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SummaryGeometryRelated PDB entries

OMK

Summary
Name:(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
Formula:C28 H26 Cl F2 N3 O
Formal charge:0
Formula weight:493.975 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
OpenEye OEToolkits1.7.0(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc5ccc(c2nc1cc(F)c(F)cc1n2C(C(=O)Nc3ccccc3C)C4CCCCC4)cc5
SMILES_CANONICALCACTVS3.370Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5
SMILESCACTVS3.370Cc1ccccc1NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F
SMILESOpenEye OEToolkits1.7.0Cc1ccccc1NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F
InChIInChI1.03InChI=1S/C28H26ClF2N3O/c1-17-7-5-6-10-23(17)33-28(35)26(18-8-3-2-4-9-18)34-25-16-22(31)21(30)15-24(25)32-27(34)19-11-13-20(29)14-12-19/h5-7,10-16,18,26H,2-4,8-9H2,1H3,(H,33,35)/t26-/m0/s1
InChIKeyInChI1.03LUMVOGPLODDMEP-SANMLTNESA-N

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PDB entries from 2024-10-09

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