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BRE

Summary
Name:2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID
Synonyms:BREQUINAR ANALOG
Formula:C23 H16 F N O2
Formal charge:0
Formula weight:357.377 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-biphenyl-4-yl-6-fluoro-3-methylquinoline-4-carboxylic acid
OpenEye OEToolkits1.5.06-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(c3ccccc3)cc4
SMILES_CANONICALCACTVS3.341Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4
SMILESCACTVS3.341Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O
SMILESOpenEye OEToolkits1.5.0Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O
InChIInChI1.03InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
InChIKeyInChI1.03WYKKHJQZENLZID-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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