| General Property |
| Molceule ID (DB) | EGIN0002652 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10h compound |
| IUPAC Name | 3-[2-({3-[2-(dimethylcarbamoyl)ethyl]-1H-indol-2-yl}disulfanyl)-1H-indol-3-yl]-N,N-dimethylpropanamide |
| Formula | C26H30N4O2S2 |
| Mass | 494.672 |
| Exact Mass | 494.1810176 |
| Composition | C (63.13%), H (6.11%), N (11.33%), O (6.47%), S (12.96%) |
| Atom Count | 64 |
| PI | 6.2 |
| Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CCC(=O)N(C)C)CCC(=O)N(C)C |
| InChI | 1S/C26H30N4O2S2/c1-29(2)23(31)15-13-19-17-9-5-7-11-21(17)27-25(19)33-34-26-20(14-16-24(32)30(3)4)18-
10-6-8-12-22(18)28-26/h5-12,27-28H,13-16H2,1-4H3 |
| InChIKey | CFTJYIOLGANXGV-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 | 7510340 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328576
|
| Drug Bank Link | - |
| ChemSpider Link | 4485740 |
| ChEMBL Link | CHEMBL422531 |
