PDB CCD ID: | NPV |
Number of entries in BioLiP: | 5 |
Chemical formula: | C21 H13 N3 O4 |
InChI: | InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26) |
InChIKey: | QTNUWEKKZHSUQO-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | OC(=O)c1ccc(cc1)c2cc3cccnc3c(n2)c4cccc(c4)[N+]([O-])=O | ACDLabs 10.04 | [O-][N+](=O)c1cccc(c1)c3nc(cc2c3nccc2)c4ccc(C(=O)O)cc4 | OpenEye OEToolkits 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O |
|
Name: | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid |
ChEMBL: | CHEMBL74078 |
DrugBank: | DB08299 |