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 | ![](./image/EGIN0002644.png) | Structure Backbone | ![](./frame/f_EGIN0002644.png) |
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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 |