| General Property |
| Molceule ID (DB) | EGIN0002744 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 6g compound |
| IUPAC Name | N-benzyl-2-{[3-(benzylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1H-indole-3-carboxamide |
| Formula | C32H26N4O2S2 |
| Mass | 562.704 |
| Exact Mass | 562.1497175 |
| Composition | C (68.3%), H (4.66%), N (9.96%), O (5.69%), S (11.4%) |
| Atom Count | 66 |
| PI | 3.98 |
| Smiles | c1(c(c2c([nH]1)cccc2)C(=O)NCc1ccccc1)SSc1c(c2c([nH]1)cccc2)C(=O)NCc1ccccc1 |
| InChI | 1S/C32H26N4O2S2/c37-29(33-19-21-11-3-1-4-12-21)27-23-15-7-9-17-25(23)35-31(27)39-40-32-28(24-16-8-10
-18-26(24)36-32)30(38)34-20-22-13-5-2-6-14-22/h1-18,35-36H,19-20H2,(H,33,37)(H,34,38) |
| InChIKey | MEEMAUXWQOCKLA-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 7837241 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
14943555
|
| Drug Bank Link | - |
| ChemSpider Link | 10212897 |
| ChEMBL Link | CHEMBL347160 |
