| General Property |
| Molceule ID (DB) | EGIN0002971 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | methyl 4-[(3S)-1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]butanoate |
| Formula | C14H17NO2S |
| Mass | 263.355 |
| Exact Mass | 263.0979995 |
| Composition | C (63.85%), H (6.51%), N (5.32%), O (12.15%), S (12.18%) |
| Atom Count | 35 |
| PI | 5.76 |
| Smiles | N1(C(=S)[C@H](c2c1cccc2)CCCC(=O)OC)C |
| InChI | 1S/C14H17NO2S/c1-15-12-8-4-3-6-10(12)11(14(15)18)7-5-9-13(16)17-2/h3-4,6,8,11H,5,7,9H2,1-2H3/t11-/m0
/s1 |
| InChIKey | ZPVGVRHNQYXYDD-NSHDSACASA-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 | 4485710 |
| ChEMBL Link | CHEMBL84512 |
