| General Property |
| Molceule ID (DB) | EGIN0002776 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 8j compound |
| IUPAC Name | 1-ethyl-2-{[1-ethyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-N-phenyl-1H-indole-3-carboxamide |
| Formula | C34H30N4O2S2 |
| Mass | 590.758 |
| Exact Mass | 590.1810176 |
| Composition | C (69.13%), H (5.12%), N (9.48%), O (5.42%), S (10.86%) |
| Atom Count | 72 |
| PI | 3.58 |
| Smiles | c1(c(C(=O)Nc2ccccc2)c2c(n1CC)cccc2)SSc1c(C(=O)Nc2ccccc2)c2c(n1CC)cccc2 |
| InChI | 1S/C34H30N4O2S2/c1-3-37-27-21-13-11-19-25(27)29(31(39)35-23-15-7-5-8-16-23)33(37)41-42-34-30(32(40)3
6-24-17-9-6-10-18-24)26-20-12-14-22-28(26)38(34)4-2/h5-22H,3-4H2,1-2H3,(H,35,39)(H,36,40) |
| InChIKey | HGEUJQHYFOVDPL-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 |
10483554
|
| Drug Bank Link | - |
| ChemSpider Link | 8658961 |
| ChEMBL Link | CHEMBL156020 |
