| General Property |
| Molceule ID (DB) | EGIN0002649 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10e compound |
| IUPAC Name | 3-(2-{[3-(2-carbamoylethyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)propanamide |
| 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 | 6.01 |
| Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CCC(=O)N)CCC(=O)N |
| InChI | 1S/C22H22N4O2S2/c23-19(27)11-9-15-13-5-1-3-7-17(13)25-21(15)29-30-22-16(10-12-20(24)28)14-6-2-4-8-18
(14)26-22/h1-8,25-26H,9-12H2,(H2,23,27)(H2,24,28) |
| InChIKey | HMHMZJJRNBZGQN-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 |
5328573
|
| Drug Bank Link | - |
| ChemSpider Link | 4485737 |
| ChEMBL Link | CHEMBL157021 |
