General Property |
Molceule ID (DB) | EGIN0002775 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 7bb compound |
IUPAC Name | 2-[(3-cyano-1-methyl-1H-indol-2-yl)disulfanyl]-1-methyl-1H-indole-3-carbonitrile |
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 | c1(c(c2c(n1C)cccc2)C#N)SSc1c(c2c(n1C)cccc2)C#N |
InChI | 1S/C20H14N4S2/c1-23-17-9-5-3-7-13(17)15(11-21)19(23)25-26-20-16(12-22)14-8-4-6-10-18(14)24(20)2/h3-1
0H,1-2H3 |
InChIKey | XGICLWOZJLZMIG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002775.png) | Structure Backbone | ![](./frame/f_EGIN0002775.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 | 7837241 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | SRC | |
Pub Chem Link |
10068026
|
Drug Bank Link | - |
ChemSpider Link | 8243566 |
ChEMBL Link | CHEMBL160566 |