| General Property |
| Molceule ID (DB) | EGIN0001619 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15b compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{2-[(2S,4R)-4-ethoxypyrrolidin-2-yl]ethynyl}thieno[3,2-d]pyrimidin-4-amine |
| Formula | C27H24ClFN4O2S |
| Mass | 523.021 |
| Exact Mass | 522.1292526 |
| Composition | C (62%), H (4.63%), Cl (6.78%), F (3.63%), N (10.71%), O (6.12%), S (6.13%) |
| Atom Count | 60 |
| PI | 11.66 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@H]1NC[C@@H](C1)OCC |
| InChI | 1S/C27H24ClFN4O2S/c1-2-34-21-11-19(30-14-21)6-8-22-13-24-26(36-22)27(32-16-31-24)33-20-7-9-25(23(28)
12-20)35-15-17-4-3-5-18(29)10-17/h3-5,7,9-10,12-13,16,19,21,30H,2,11,14-15H2,1H3,(H,31,32,33)/t19-,2
1-/m1/s1 |
| InChIKey | SFLDOYMGTGAPKO-TZIWHRDSSA-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 |
44580949
|
| Drug Bank Link | - |
| ChemSpider Link | 24707788 |
| ChEMBL Link | CHEMBL497184 |
