| PDB CCD ID: | 968 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H13 N O6 |
| InChI: | InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26) |
| InChIKey: | IGOULVZYQKJJKC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(O)c1ccccc1N(c2c3c(ccc2)ccc(O)c3)C(=O)C(=O)O | | OpenEye OEToolkits 1.5.0 | c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O | | CACTVS 3.341 | Oc1ccc2cccc(N(C(=O)C(O)=O)c3ccccc3C(O)=O)c2c1 |
|
| Name: | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID;
COMPOUND 8B |
| ChEMBL: | CHEMBL305785 |
| DrugBank: | DB07295 |
| ZINC: | ZINC000002047504 |
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