| General Property |
| Molceule ID (DB) | EGIN0002646 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | methyl 3-(2-{[3-(3-methoxy-3-oxopropyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)propanoate |
| Formula | C24H24N2O4S2 |
| Mass | 468.588 |
| Exact Mass | 468.1177486 |
| Composition | C (61.52%), H (5.16%), N (5.98%), O (13.66%), S (13.69%) |
| Atom Count | 56 |
| PI | No isoelectric point. |
| Smiles | c1cccc2c1c(c([nH]2)SSc1[nH]c2c(c1CCC(=O)OC)cccc2)CCC(=O)OC |
| InChI | 1S/C24H24N2O4S2/c1-29-21(27)13-11-17-15-7-3-5-9-19(15)25-23(17)31-32-24-18(12-14-22(28)30-2)16-8-4-6
-10-20(16)26-24/h3-10,25-26H,11-14H2,1-2H3 |
| InChIKey | ZMWAFESFFVDUCV-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 | 8355247 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328560
|
| Drug Bank Link | - |
| ChemSpider Link | 4485724 |
| ChEMBL Link | CHEMBL79808 |
