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AVM

Summary
Name:3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid
Formula:C24 H18 N2 O3
Formal charge:0
Formula weight:382.411 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H18N2O3/c1-15(27)26-22-6-2-4-17(13-22)19-10-20(12-21(11-19)24(28)29)18-8-7-16-5-3-9-25-23(16)14-18/h2-14H,1H3,(H,26,27)(H,28,29)
InChIKeyInChI1.03HFHBEVQSZIRVAZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3ccc4cccnc4c3)C(O)=O
SMILESCACTVS3.385CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3ccc4cccnc4c3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3
SMILESOpenEye OEToolkits2.0.6CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3

219140

PDB entries from 2024-05-01

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