| General Property |
| Molceule ID (DB) | EGIN0001437 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | 6-{5-[(benzylamino)methyl]furan-2-yl}-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}thieno[2,3-d]pyrimidin-4-amine |
| Formula | C31H24ClFN4O2S |
| Mass | 571.064 |
| Exact Mass | 570.1292526 |
| Composition | C (65.2%), H (4.24%), Cl (6.21%), F (3.33%), N (9.81%), O (5.6%), S (5.61%) |
| Atom Count | 64 |
| PI | 11.81 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)sc(c2)c1ccc(o1)CNCc1ccccc1 |
| InChI | 1S/C31H24ClFN4O2S/c32-26-14-23(9-11-27(26)38-18-21-7-4-8-22(33)13-21)37-30-25-15-29(40-31(25)36-19-3
5-30)28-12-10-24(39-28)17-34-16-20-5-2-1-3-6-20/h1-15,19,34H,16-18H2,(H,35,36,37) |
| InChIKey | KAJJGLKWPUKTKG-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 |
44571436
|
| Drug Bank Link | - |
| ChemSpider Link | 24717849 |
| ChEMBL Link | CHEMBL519757 |
