| General Property |
| Molceule ID (DB) | EGIN0002645 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | 3-(2-{[3-(2-carboxyethyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)propanoic acid |
| Formula | C22H20N2O4S2 |
| Mass | 440.535 |
| Exact Mass | 440.0864485 |
| Composition | C (59.98%), H (4.58%), N (6.36%), O (14.53%), S (14.56%) |
| Atom Count | 50 |
| PI | No isoelectric point. |
| Smiles | c1cccc2c1c(c([nH]2)SSc1[nH]c2c(c1CCC(=O)O)cccc2)CCC(=O)O |
| InChI | 1S/C22H20N2O4S2/c25-19(26)11-9-15-13-5-1-3-7-17(13)23-21(15)29-30-22-16(10-12-20(27)28)14-6-2-4-8-18
(14)24-22/h1-8,23-24H,9-12H2,(H,25,26)(H,27,28) |
| InChIKey | WKVZBEWEEYDDMO-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 | 7837241 | 8355247 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328558
|
| Drug Bank Link | - |
| ChemSpider Link | 4485722 |
| ChEMBL Link | CHEMBL79704 |
