| General Property |
| Molceule ID (DB) | EGIN0002976 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 2-(2-{[3-(carboxymethyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)acetic acid |
| Formula | C20H16N2O4S2 |
| Mass | 412.482 |
| Exact Mass | 412.0551484 |
| Composition | C (58.24%), H (3.91%), N (6.79%), O (15.52%), S (15.55%) |
| Atom Count | 44 |
| PI | No isoelectric point. |
| Smiles | c1(c(c2c([nH]1)cccc2)CC(=O)O)SSc1c(c2c([nH]1)cccc2)CC(=O)O |
| InChI | 1S/C20H16N2O4S2/c23-17(24)9-13-11-5-1-3-7-15(11)21-19(13)27-28-20-14(10-18(25)26)12-6-2-4-8-16(12)22
-20/h1-8,21-22H,9-10H2,(H,23,24)(H,25,26) |
| InChIKey | WYVCKDYGPDDNFV-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 | 8355247 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
5328550
|
| Drug Bank Link | - |
| ChemSpider Link | 4485714 |
| ChEMBL Link | CHEMBL419650 |
