| PDB CCD ID: | 617 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H12 Cl N O4 |
| InChI: | InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20) |
| InChIKey: | LXSDGQYDSDIUPN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC(=O)c1ccccc1NC(=O)COc2ccc(Cl)cc2 | | ACDLabs 10.04 | Clc2ccc(OCC(=O)Nc1ccccc1C(=O)O)cc2 | | OpenEye OEToolkits 1.5.0 | c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl |
|
| Name: | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID;
2-(2-(4-CHLOROPHENOXY)ACETAMIDO)BENZOIC ACID |
| ChEMBL: | CHEMBL227439 |
| DrugBank: | DB07185 |
| ZINC: | ZINC000000098226 |
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