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LUR

Summary
Name:{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid
Synonyms:Lumiracoxib
Formula:C15 H13 Cl F N O2
Formal charge:0
Formula weight:293.721 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid
OpenEye OEToolkits1.7.62-[2-[(2-chloranyl-6-fluoranyl-phenyl)amino]-5-methyl-phenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C
InChIInChI1.03InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyInChI1.03KHPKQFYUPIUARC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1
SMILESCACTVS3.370Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F
SMILESOpenEye OEToolkits1.7.6Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F

217705

PDB entries from 2024-03-27

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