PDB CCD ID: | LUR |
Number of entries in BioLiP: | 16 |
Chemical formula: | C15 H13 Cl F N O2 |
InChI: | InChI=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) |
InChIKey: | KHPKQFYUPIUARC-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C | OpenEye OEToolkits 1.7.6 | Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F | CACTVS 3.370 | Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1 |
|
Name: | {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid; Lumiracoxib |
ChEMBL: | CHEMBL404108 |
DrugBank: | DB01283 |
ZINC: | ZINC000000007563 |