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SummaryGeometryRelated PDB entries

1M0

Summary
Name:1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole
Formula:C38 H32 N4 O
Formal charge:0
Formula weight:560.687 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole
OpenEye OEToolkits1.7.62-phenyl-1-[(2R)-1-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]pent-4-en-2-yl]benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c1ccccc1n(c2c6ccc(OCC(n4c5ccccc5nc4c3ccccc3)C\C=C)cc6)Cc7ccccc7
InChIInChI1.03InChI=1S/C38H32N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h2-12,14-25,31H,1,13,26-27H2/t31-/m1/s1
InChIKeyInChI1.03VETKHSOXOHNPCG-WJOKGBTCSA-N
SMILES_CANONICALCACTVS3.370C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7
SMILESCACTVS3.370C=CC[CH](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7
SMILES_CANONICALOpenEye OEToolkits1.7.6C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7
SMILESOpenEye OEToolkits1.7.6C=CCC(COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7

223532

數據於2024-08-07公開中

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