| General Property |
| Molceule ID (DB) | EGIN0002654 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10j compound |
| IUPAC Name | N-benzyl-3-[2-({3-[2-(benzylcarbamoyl)ethyl]-1H-indol-2-yl}disulfanyl)-1H-indol-3-yl]propanamide |
| Formula | C36H34N4O2S2 |
| Mass | 618.811 |
| Exact Mass | 618.2123177 |
| Composition | C (69.87%), H (5.54%), N (9.05%), O (5.17%), S (10.36%) |
| Atom Count | 78 |
| PI | 6.04 |
| Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CCC(=O)NCc1ccccc1)CCC(=O)NCc1ccccc1 |
| InChI | 1S/C36H34N4O2S2/c41-33(37-23-25-11-3-1-4-12-25)21-19-29-27-15-7-9-17-31(27)39-35(29)43-44-36-30(28-1
6-8-10-18-32(28)40-36)20-22-34(42)38-24-26-13-5-2-6-14-26/h1-18,39-40H,19-24H2,(H,37,41)(H,38,42) |
| InChIKey | JIEAIEPFEUNUQF-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 | 7510340 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328578
|
| Drug Bank Link | - |
| ChemSpider Link | 4485742 |
| ChEMBL Link | CHEMBL293261 |
