| General Property |
| Molceule ID (DB) | EGIN0002765 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7r compound |
| IUPAC Name | 1-methyl-2-({1-methyl-3-[(pyridin-2-yl)carbamoyl]-1H-indol-2-yl}disulfanyl)-N-(pyridin-2-yl)-1H-indole-3-carboxamide |
| Formula | C30H24N6O2S2 |
| Mass | 564.681 |
| Exact Mass | 564.1402154 |
| Composition | C (63.81%), H (4.28%), N (14.88%), O (5.67%), S (11.36%) |
| Atom Count | 64 |
| PI | 6.15 |
| Smiles | c1(c(C(=O)Nc2ncccc2)c2c(n1C)cccc2)SSc1c(C(=O)Nc2ncccc2)c2c(n1C)cccc2 |
| InChI | 1S/C30H24N6O2S2/c1-35-21-13-5-3-11-19(21)25(27(37)33-23-15-7-9-17-31-23)29(35)39-40-30-26(20-12-4-6-
14-22(20)36(30)2)28(38)34-24-16-8-10-18-32-24/h3-18H,1-2H3,(H,31,33,37)(H,32,34,38) |
| InChIKey | JOWCTFPLEOLXDX-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 | 7837241 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
10053637
|
| Drug Bank Link | - |
| ChemSpider Link | 8229197 |
| ChEMBL Link | CHEMBL435054 |
