| General Property |
| Molceule ID (DB) | EGIN0002754 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7g compound |
| IUPAC Name | N-benzyl-2-{[3-(benzylcarbamoyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indole-3-carboxamide |
| Formula | C34H30N4O2S2 |
| Mass | 590.758 |
| Exact Mass | 590.1810176 |
| Composition | C (69.13%), H (5.12%), N (9.48%), O (5.42%), S (10.86%) |
| Atom Count | 72 |
| PI | 6.24 |
| Smiles | c1(c(c2c(n1C)cccc2)C(=O)NCc1ccccc1)SSc1c(c2c(n1C)cccc2)C(=O)NCc1ccccc1 |
| InChI | 1S/C34H30N4O2S2/c1-37-27-19-11-9-17-25(27)29(31(39)35-21-23-13-5-3-6-14-23)33(37)41-42-34-30(26-18-1
0-12-20-28(26)38(34)2)32(40)36-22-24-15-7-4-8-16-24/h3-20H,21-22H2,1-2H3,(H,35,39)(H,36,40) |
| InChIKey | WQRADLHSHDAHEX-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 |
10371203
|
| Drug Bank Link | - |
| ChemSpider Link | 8546648 |
| ChEMBL Link | CHEMBL158275 |
