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SummaryGeometryRelated PDB entries

A1DH7

Summary
Name:3-([1,1'-biphenyl]-4-yl)-2,1-benzoxazole-5-carboxylic acid
Formula:C20 H13 N O3
Formal charge:0
Formula weight:315.322 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-([1,1'-biphenyl]-4-yl)-2,1-benzoxazole-5-carboxylic acid
OpenEye OEToolkits3.1.0.03-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)c1cc2c(onc2cc1)c1ccc(cc1)c1ccccc1
InChIInChI1.06InChI=1S/C20H13NO3/c22-20(23)16-10-11-18-17(12-16)19(24-21-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeyInChI1.06FGCSKRKOSIKUGT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc2noc(c3ccc(cc3)c4ccccc4)c2c1
SMILESCACTVS3.385OC(=O)c1ccc2noc(c3ccc(cc3)c4ccccc4)c2c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)c2ccc(cc2)c3c4cc(ccc4no3)C(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)c2ccc(cc2)c3c4cc(ccc4no3)C(=O)O

260320

PDB entries from 2026-09-30

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