| General Property |
| Molceule ID (DB) | EGIN0001439 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 33 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-amine |
| Formula | C23H15ClFN3OS2 |
| Mass | 467.966 |
| Exact Mass | 467.0329094 |
| Composition | C (59.03%), H (3.23%), Cl (7.58%), F (4.06%), N (8.98%), O (3.42%), S (13.7%) |
| Atom Count | 46 |
| PI | 9.29 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)sc(c2)c1cccs1 |
| InChI | 1S/C23H15ClFN3OS2/c24-18-10-16(6-7-19(18)29-12-14-3-1-4-15(25)9-14)28-22-17-11-21(20-5-2-8-30-20)31-
23(17)27-13-26-22/h1-11,13H,12H2,(H,26,27,28) |
| InChIKey | PBIJKZCHYCDPPC-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 |
44571453
|
| Drug Bank Link | - |
| ChemSpider Link | 24714009 |
| ChEMBL Link | CHEMBL506414 |
