| General Property |
| Molceule ID (DB) | EGIN0002766 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7s compound |
| IUPAC Name | 1-methyl-2-({1-methyl-3-[(pyridin-3-yl)carbamoyl]-1H-indol-2-yl}disulfanyl)-N-(pyridin-3-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 | 7.01 |
| Smiles | c1(c(C(=O)Nc2cnccc2)c2c(n1C)cccc2)SSc1c(C(=O)Nc2cnccc2)c2c(n1C)cccc2 |
| InChI | 1S/C30H24N6O2S2/c1-35-23-13-5-3-11-21(23)25(27(37)33-19-9-7-15-31-17-19)29(35)39-40-30-26(22-12-4-6-
14-24(22)36(30)2)28(38)34-20-10-8-16-32-18-20/h3-18H,1-2H3,(H,33,37)(H,34,38) |
| InChIKey | SSEMIGGXWRCBQS-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 |
10437879
|
| Drug Bank Link | - |
| ChemSpider Link | 8613302 |
| ChEMBL Link | CHEMBL352010 |
