| General Property |
| Molceule ID (DB) | EGIN0001608 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{2-[(2R)-pyrrolidin-2-yl]ethynyl}thieno[2,3-d]pyrimidin-4-amine |
| Formula | C25H20ClFN4OS |
| Mass | 478.969 |
| Exact Mass | 478.1030379 |
| Composition | C (62.69%), H (4.21%), Cl (7.4%), F (3.97%), N (11.7%), O (3.34%), S (6.69%) |
| Atom Count | 53 |
| PI | 12.49 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)cc(s2)C#C[C@@H]1NCCC1 |
| InChI | 1S/C25H20ClFN4OS/c26-22-12-19(7-9-23(22)32-14-16-3-1-4-17(27)11-16)31-24-21-13-20(33-25(21)30-15-29-
24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 |
| InChIKey | TWIUFSQIKGYUBP-GOSISDBHSA-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 | 18287036 |
| 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 |
25218697
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
