PDB CCD ID: | BT9 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C14 H10 F3 N O2 |
InChI: | InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20) |
InChIKey: | MDZIRNPRVJEHHX-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | FC(F)(F)c1ccc(cc1)Nc2cc(ccc2)C(=O)O | OpenEye OEToolkits 1.7.6 | c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O | CACTVS 3.370 | OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1 |
|
Name: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid |
ChEMBL: | CHEMBL1682202 |
ZINC: | ZINC000054186689 |