PDB CCD ID: | BDE |
Number of entries in BioLiP: | 4 |
Chemical formula: | C13 H9 Br2 N3 O3 |
InChI: | InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+ |
InChIKey: | PYVJEAZDEZTGIS-UBKPWBPPSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.341 | Oc1c(Br)cc(/C=N/NC(=O)c2cccnc2)c(O)c1Br | OpenEye OEToolkits 1.5.0 | c1cc(cnc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br | ACDLabs 10.04 | O=C(N\N=C\c1cc(Br)c(O)c(Br)c1O)c2cccnc2 | OpenEye OEToolkits 1.5.0 | c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br | CACTVS 3.341 | Oc1c(Br)cc(C=NNC(=O)c2cccnc2)c(O)c1Br |
|
Name: | N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE |
ChEMBL: | CHEMBL514988 |
DrugBank: | DB07445 |
ZINC: | ZINC000000711748 |