PDB CCD ID: | PH7 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C22 H16 Br N O4 |
InChI: | InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14- |
InChIKey: | WLPJLQNKCJWAFL-RGEXLXHISA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc3Br)/C(=O)O | ACDLabs 10.04 | Brc3ccccc3Oc2ccc(/C=C(/C(=O)O)NC(=O)c1ccccc1)cc2 | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(=O)NC(=Cc2ccc(cc2)Oc3ccccc3Br)C(=O)O | CACTVS 3.341 | OC(=O)C(/NC(=O)c1ccccc1)=C/c2ccc(Oc3ccccc3Br)cc2 | CACTVS 3.341 | OC(=O)C(NC(=O)c1ccccc1)=Cc2ccc(Oc3ccccc3Br)cc2 |
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Name: | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID |
ChEMBL: | CHEMBL188442 |
DrugBank: | DB01720 |