| General Property |
| Molceule ID (DB) | EGIN0002647 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10c compound |
| IUPAC Name | 3-(2-{[3-(2-cyanoethyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)propanenitrile |
| Formula | C22H18N4S2 |
| Mass | 402.535 |
| Exact Mass | 402.097288 |
| Composition | C (65.64%), H (4.51%), N (13.92%), S (15.93%) |
| Atom Count | 46 |
| PI | No isoelectric point. |
| Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CCC#N)CCC#N |
| InChI | 1S/C22H18N4S2/c23-13-5-9-17-15-7-1-3-11-19(15)25-21(17)27-28-22-18(10-6-14-24)16-8-2-4-12-20(16)26-2
2/h1-4,7-8,11-12,25-26H,5-6,9-10H2 |
| InChIKey | BWFSEWLGHWAHGL-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 | No activity data against other kinases present in database |
| Pub Chem Link |
5328571
|
| Drug Bank Link | - |
| ChemSpider Link | 4485735 |
| ChEMBL Link | CHEMBL157304 |
