| General Property |
| Molceule ID (DB) | EGIN0002753 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7f compound |
| IUPAC Name | N-[2-(dimethylamino)ethyl]-2-[(3-{[2-(dimethylamino)ethyl]carbamoyl}-1-methyl-1H-indol-2-yl)disulfanyl]-1-methyl-1H-indole-3-carboxamide |
| Formula | C28H36N6O2S2 |
| Mass | 552.754 |
| Exact Mass | 552.2341158 |
| Composition | C (60.84%), H (6.56%), N (15.2%), O (5.79%), S (11.6%) |
| Atom Count | 74 |
| PI | 11.36 |
| Smiles | c1(c(c2c(n1C)cccc2)C(=O)NCCN(C)C)SSc1c(c2c(n1C)cccc2)C(=O)NCCN(C)C |
| InChI | 1S/C28H36N6O2S2/c1-31(2)17-15-29-25(35)23-19-11-7-9-13-21(19)33(5)27(23)37-38-28-24(26(36)30-16-18-3
2(3)4)20-12-8-10-14-22(20)34(28)6/h7-14H,15-18H2,1-6H3,(H,29,35)(H,30,36) |
| InChIKey | ASAVPQOOHXZTPY-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 |
10257058
|
| Drug Bank Link | - |
| ChemSpider Link | 8432541 |
| ChEMBL Link | CHEMBL348554 |
