| PDB CCD ID: | BRW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H10 Br N3 O2 |
| InChI: | InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+ |
| InChIKey: | DDLZLOKCJHBUHD-WAVHTBQISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2 | | CACTVS 3.341 | ON=C1C(Nc2ccccc12)=C3C(=O)Nc4cc(Br)ccc34 | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2 | | CACTVS 3.341 | O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4cc(Br)ccc34 | | ACDLabs 10.04 | Brc1ccc\2c(c1)NC(=O)C/2=C4\C(=N\O)\c3ccccc3N4 |
|
| Name: | 6-BROMOINDIRUBIN-3'-OXIME;
(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME |
| ChEMBL: | CHEMBL409450 |
| DrugBank: | DB03444 |
| ZINC: | ZINC000018128386 |
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