| General Property |
| Molceule ID (DB) | EGIN0002749 |
| Inhibitor Class | Diselenobis-indole |
| Molecule Name in Refrence Article | 7b compound |
| IUPAC Name | N,1-dimethyl-2-{[1-methyl-3-(methylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1H-indole-3-carboxamide |
| Formula | C22H22N4O2S2 |
| Mass | 438.566 |
| Exact Mass | 438.1184173 |
| Composition | C (60.25%), H (5.06%), N (12.77%), O (7.3%), S (14.62%) |
| Atom Count | 52 |
| PI | 6.26 |
| Smiles | c1(c(c2c(n1C)cccc2)C(=O)NC)SSc1c(c2c(n1C)cccc2)C(=O)NC |
| InChI | 1S/C22H22N4O2S2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(1
4)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28) |
| InChIKey | XUXNEGDCCYQQNC-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 | 9046331 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328096
|
| Drug Bank Link | - |
| ChemSpider Link | 4485263 |
| ChEMBL Link | CHEMBL342929 |
