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DKU

Summary
Name:3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
Formula:C25 H20 N2 O2
Formal charge:0
Formula weight:380.439 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3
InChIKeyInChI1.03HMWKWNLDAUQIGF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5
SMILESCACTVS3.385Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O

218853

PDB entries from 2024-04-24

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