| General Property |
| Molceule ID (DB) | EGIN0002748 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7a compound |
| IUPAC Name | 2-[(3-carbamoyl-1-methyl-1H-indol-2-yl)disulfanyl]-1-methyl-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 | 5.96 |
| Smiles | c1(c(c2c(n1C)cccc2)C(=O)N)SSc1c(c2c(n1C)cccc2)C(=O)N |
| InChI | 1S/C20H18N4O2S2/c1-23-13-9-5-3-7-11(13)15(17(21)25)19(23)27-28-20-16(18(22)26)12-8-4-6-10-14(12)24(2
0)2/h3-10H,1-2H3,(H2,21,25)(H2,22,26) |
| InChIKey | ONLDCBOXACFNKL-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 |
10386874
|
| Drug Bank Link | - |
| ChemSpider Link | 8562316 |
| ChEMBL Link | CHEMBL157807 |
