| General Property |
| Molceule ID (DB) | EGIN0002757 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7j compound |
| IUPAC Name | 1-methyl-2-{[1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-N-phenyl-1H-indole-3-carboxamide |
| Formula | C32H26N4O2S2 |
| Mass | 562.704 |
| Exact Mass | 562.1497175 |
| Composition | C (68.3%), H (4.66%), N (9.96%), O (5.69%), S (11.4%) |
| Atom Count | 66 |
| PI | 3.58 |
| Smiles | c1(c(C(=O)Nc2ccccc2)c2c(n1C)cccc2)SSc1c(C(=O)Nc2ccccc2)c2c(n1C)cccc2 |
| InChI | 1S/C32H26N4O2S2/c1-35-25-19-11-9-17-23(25)27(29(37)33-21-13-5-3-6-14-21)31(35)39-40-32-28(24-18-10-1
2-20-26(24)36(32)2)30(38)34-22-15-7-4-8-16-22/h3-20H,1-2H3,(H,33,37)(H,34,38) |
| InChIKey | PRTBWEHHMHBKER-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 | 8027985 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328592
|
| Drug Bank Link | - |
| ChemSpider Link | 4485756 |
| ChEMBL Link | CHEMBL304414 |
