| General Property |
| Molceule ID (DB) | EGIN0001444 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 38 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{5-[(ethylamino)methyl]-1H-pyrrol-2-yl}thieno[2,3-d]pyrimidin-4-amine |
| Formula | C26H23ClFN5OS |
| Mass | 508.01 |
| Exact Mass | 507.129587 |
| Composition | C (61.47%), H (4.56%), Cl (6.98%), F (3.74%), N (13.79%), O (3.15%), S (6.31%) |
| Atom Count | 58 |
| PI | 12.02 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)sc(c2)c1ccc([nH]1)CNCC |
| InChI | 1S/C26H23ClFN5OS/c1-2-29-13-19-6-8-22(32-19)24-12-20-25(30-15-31-26(20)35-24)33-18-7-9-23(21(27)11-1
8)34-14-16-4-3-5-17(28)10-16/h3-12,15,29,32H,2,13-14H2,1H3,(H,30,31,33) |
| InChIKey | OORGVIGRGYYYEO-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 |
44571437
|
| Drug Bank Link | - |
| ChemSpider Link | 24698248 |
| ChEMBL Link | CHEMBL480348 |
