| General Property |
| Molceule ID (DB) | EGIN0001442 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine |
| Formula | C23H16ClFN4OS |
| Mass | 450.916 |
| Exact Mass | 450.0717378 |
| Composition | C (61.26%), H (3.58%), Cl (7.86%), F (4.21%), N (12.43%), O (3.55%), S (7.11%) |
| Atom Count | 47 |
| PI | 9.15 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)sc(c2)c1ccc[nH]1 |
| InChI | 1S/C23H16ClFN4OS/c24-18-10-16(6-7-20(18)30-12-14-3-1-4-15(25)9-14)29-22-17-11-21(19-5-2-8-26-19)31-2
3(17)28-13-27-22/h1-11,13,26H,12H2,(H,27,28,29) |
| InChIKey | OHVZOXZMVPDEDV-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 | 19111461 |
| 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 |
44571415
|
| Drug Bank Link | - |
| ChemSpider Link | 24696704 |
| ChEMBL Link | CHEMBL475600 |
