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DL0

Summary
Name:6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
Formula:C25 H19 Cl N2 O2
Formal charge:0
Formula weight:414.884 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3
InChIKeyInChI1.03UXCWAAKUKNXUNL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2n(c(CCC3=COc4ccc(Cl)cc4C3=O)nc2c1)c5ccccc5
SMILESCACTVS3.385Cc1ccc2n(c(CCC3=COc4ccc(Cl)cc4C3=O)nc2c1)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl

217705

PDB entries from 2024-03-27

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