| General Property |
| Molceule ID (DB) | EGIN0002743 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 6b compound |
| IUPAC Name | N-methyl-2-{[3-(methylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1H-indole-3-carboxamide |
| Formula | C20H18N4O2S2 |
| Mass | 410.513 |
| Exact Mass | 410.0871172 |
| Composition | C (58.52%), H (4.42%), N (13.65%), O (7.79%), S (15.62%) |
| Atom Count | 46 |
| PI | 4.03 |
| Smiles | c1(c(c2c([nH]1)cccc2)C(=O)NC)SSc1c(c2c([nH]1)cccc2)C(=O)NC |
| InChI | 1S/C20H18N4O2S2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)24
-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26) |
| InChIKey | YEIGAHPQUUHSPR-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 |
14943556
|
| Drug Bank Link | - |
| ChemSpider Link | 10212898 |
| ChEMBL Link | CHEMBL161226 |
