| General Property |
| Molceule ID (DB) | EGIN0002965 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 3-[(3S)-2-sulfanyl-3H-indol-3-yl]propanoic acid |
| Formula | C11H11NO2S |
| Mass | 221.276 |
| Exact Mass | 221.0510493 |
| Composition | C (59.71%), H (5.01%), N (6.33%), O (14.46%), S (14.49%) |
| Atom Count | 26 |
| PI | 4.93 |
| Smiles | C1(=Nc2c([C@@H]1CCC(=O)O)cccc2)S |
| InChI | 1S/C11H11NO2S/c13-10(14)6-5-8-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)/t8-/m0/s1 |
| InChIKey | XZFPVQIMSWHDCR-QMMMGPOBSA-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 | 4485703 |
| ChEMBL Link | CHEMBL309276 |
