| General Property |
| Molceule ID (DB) | EGIN0002746 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 6cc compound |
| IUPAC Name | 3-[(4-methylbenzene)sulfonyl]-2-({3-[(4-methylbenzene)sulfonyl]-1H-indol-2-yl}disulfanyl)-1H-indole |
| Formula | C30H24N2O4S4 |
| Mass | 604.783 |
| Exact Mass | 604.06189 |
| Composition | C (59.58%), H (4%), N (4.63%), O (10.58%), S (21.21%) |
| Atom Count | 64 |
| PI | No isoelectric point. |
| Smiles | c1(c([nH]c2c1cccc2)SSc1c(S(=O)(=O)c2ccc(cc2)C)c2c([nH]1)cccc2)S(=O)(=O)c1ccc(cc1)C |
| InChI | 1S/C30H24N2O4S4/c1-19-11-15-21(16-12-19)39(33,34)27-23-7-3-5-9-25(23)31-29(27)37-38-30-28(24-8-4-6-1
0-26(24)32-30)40(35,36)22-17-13-20(2)14-18-22/h3-18,31-32H,1-2H3 |
| InChIKey | DNWMFSJFDUXLDC-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 |
14943557
|
| Drug Bank Link | - |
| ChemSpider Link | 10212901 |
| ChEMBL Link | CHEMBL347854 |
