| General Property |
| Molceule ID (DB) | EGIN0001607 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 6-[(3R)-3-aminobut-1-yn-1-yl]-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}thieno[2,3-d]pyrimidin-4-amine |
| Formula | C23H18ClFN4OS |
| Mass | 452.932 |
| Exact Mass | 452.0873878 |
| Composition | C (60.99%), H (4.01%), Cl (7.83%), F (4.19%), N (12.37%), O (3.53%), S (7.08%) |
| Atom Count | 49 |
| PI | 12.11 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)cc(s2)C#C[C@H](N)C |
| InChI | 1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-19-22(27-13-28-23(19)31-18)29-17-6-8-21(20(24)10-17)30-12-15-3-2
-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m1/s1 |
| InChIKey | UMGYMAXDIGYRMA-CQSZACIVSA-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 |
44527638
|
| Drug Bank Link | - |
| ChemSpider Link | 25067572 |
| ChEMBL Link | CHEMBL547170 |
