| General Property |
| Molceule ID (DB) | EGIN0002964 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | methyl 2-[(3R)-1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]acetate |
| 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 | 4.9 |
| Smiles | C1(=S)N(c2c([C@H]1CC(=O)OC)cccc2)C |
| InChI | 1S/C12H13NO2S/c1-13-10-6-4-3-5-8(10)9(12(13)16)7-11(14)15-2/h3-6,9H,7H2,1-2H3/t9-/m1/s1 |
| InChIKey | ATODTYDJXOAVQA-SECBINFHSA-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 | 4485702 |
| ChEMBL Link | CHEMBL80001 |
