| General Property |
| Molceule ID (DB) | EGIN0002968 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | methyl 3-[(3S)-1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]propanoate |
| 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 | 5.49 |
| Smiles | N1(C(=S)[C@H](c2c1cccc2)CCC(=O)OC)C |
| InChI | 1S/C13H15NO2S/c1-14-11-6-4-3-5-9(11)10(13(14)17)7-8-12(15)16-2/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1 |
| InChIKey | XUVRAMTZZUYTTG-JTQLQIEISA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 4485706 |
| ChEMBL Link | CHEMBL311609 |
