| General Property |
| Molceule ID (DB) | EGIN0002969 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 4-[(3S)-2-sulfanyl-3H-indol-3-yl]butanoic acid |
| Formula | C12H13NO2S |
| Mass | 235.302 |
| Exact Mass | 235.0666994 |
| Composition | C (61.25%), H (5.57%), N (5.95%), O (13.6%), S (13.63%) |
| Atom Count | 29 |
| PI | 4.99 |
| Smiles | C1(=Nc2c([C@@H]1CCCC(=O)O)cccc2)S |
| InChI | 1S/C12H13NO2S/c14-11(15)7-3-5-9-8-4-1-2-6-10(8)13-12(9)16/h1-2,4,6,9H,3,5,7H2,(H,13,16)(H,14,15)/t9-
/m0/s1 |
| InChIKey | OKZLZNFBUWVBMP-VIFPVBQESA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4485707 |
| ChEMBL Link | CHEMBL84513 |
