| General Property |
| Molceule ID (DB) | EGIN0002970 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 4-[(3S)-1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]butanoic acid |
| Formula | C13H15NO2S |
| Mass | 249.329 |
| Exact Mass | 249.0823494 |
| Composition | C (62.62%), H (6.06%), N (5.62%), O (12.83%), S (12.86%) |
| Atom Count | 32 |
| PI | 0.82 |
| Smiles | N1(C(=S)[C@H](c2c1cccc2)CCCC(=O)O)C |
| InChI | 1S/C13H15NO2S/c1-14-11-7-3-2-5-9(11)10(13(14)17)6-4-8-12(15)16/h2-3,5,7,10H,4,6,8H2,1H3,(H,15,16)/t1
0-/m0/s1 |
| InChIKey | QHJCJUXULVYEKC-JTQLQIEISA-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 | 4485708 |
| ChEMBL Link | CHEMBL83390 |
