General Property |
Molceule ID (DB) | EGIN0003566 |
Inhibitor Class | Diselenobis-indole |
Molecule Name in Refrence Article | 25 compound |
IUPAC Name | N-methyl-2-{[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl}-1H-indole-3-carboxamide |
Formula | C20H18N4O2Se2 |
Mass | 504.3 |
Exact Mass | 505.9760195 |
Composition | C (47.63%), H (3.6%), N (11.11%), O (6.35%), Se (31.31%) |
Atom Count | 46 |
PI | 4.03 |
Smiles | c1(c(c2c([nH]1)cccc2)C(=O)NC)[Se][Se]c1c(c2c([nH]1)cccc2)C(=O)NC |
InChI | 1S/C20H18N4O2Se2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)2
4-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26) |
InChIKey | SSIOMHJBYZEOEK-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 | 9046331 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | v-src | PDGFr | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 4485269 |
ChEMBL Link | CHEMBL135861 |