| General Property |
| Molceule ID (DB) | EGIN0002644 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10b compound |
| IUPAC Name | 2-(2-{[3-(cyanomethyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)acetonitrile |
| Formula | C20H14N4S2 |
| Mass | 374.482 |
| Exact Mass | 374.0659878 |
| Composition | C (64.15%), H (3.77%), N (14.96%), S (17.12%) |
| Atom Count | 40 |
| PI | No isoelectric point. |
| Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CC#N)CC#N |
| InChI | 1S/C20H14N4S2/c21-11-9-15-13-5-1-3-7-17(13)23-19(15)25-26-20-16(10-12-22)14-6-2-4-8-18(14)24-20/h1-8
,23-24H,9-10H2 |
| InChIKey | WRQVNXDOWPRYHH-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 |
5328570
|
| Drug Bank Link | - |
| ChemSpider Link | 4485734 |
| ChEMBL Link | CHEMBL348116 |
