| General Property |
| Molceule ID (DB) | EGIN0002975 |
| Inhibitor Class | Thioxo-indole |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | methyl 3-[3,3-bis(3-methoxy-3-oxopropyl)-2-sulfanylidene-2,3-dihydro-1H-indol-1-yl]propanoate |
| Formula | C20H25NO6S |
| Mass | 407.481 |
| Exact Mass | 407.1402582 |
| Composition | C (58.95%), H (6.18%), N (3.44%), O (23.56%), S (7.87%) |
| Atom Count | 53 |
| PI | No isoelectric point. |
| Smiles | N1(C(=S)C(c2c1cccc2)(CCC(=O)OC)CCC(=O)OC)CCC(=O)OC |
| InChI | 1S/C20H25NO6S/c1-25-16(22)8-11-20(12-9-17(23)26-2)14-6-4-5-7-15(14)21(19(20)28)13-10-18(24)27-3/h4-7
H,8-13H2,1-3H3 |
| InChIKey | GJMGVLXXCHTSIG-UHFFFAOYSA-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 |
5328549
|
| Drug Bank Link | - |
| ChemSpider Link | 4485713 |
| ChEMBL Link | CHEMBL309513 |
