| General Property |
| Molceule ID (DB) | EGIN0001615 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{2-[(2R)-1-methanesulfonylpyrrolidin-2-yl]ethynyl}thieno[3,2-d]pyrimidin-4-amine |
| Formula | C26H22ClFN4O3S2 |
| Mass | 557.059 |
| Exact Mass | 556.0805879 |
| Composition | C (56.06%), H (3.98%), Cl (6.36%), F (3.41%), N (10.06%), O (8.62%), S (11.51%) |
| Atom Count | 59 |
| PI | 8.17 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@@H]1N(CCC1)S(=O)(=O)C |
| InChI | 1S/C26H22ClFN4O3S2/c1-37(33,34)32-11-3-6-20(32)8-9-21-14-23-25(36-21)26(30-16-29-23)31-19-7-10-24(22
(27)13-19)35-15-17-4-2-5-18(28)12-17/h2,4-5,7,10,12-14,16,20H,3,6,11,15H2,1H3,(H,29,30,31)/t20-/m1/s
1 |
| InChIKey | GJDNPLFIVITRLH-HXUWFJFHSA-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 | 18842405 |
| 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 |
44580915
|
| Drug Bank Link | - |
| ChemSpider Link | 24706797 |
| ChEMBL Link | CHEMBL495733 |
