| General Property |
| Molceule ID (DB) | EGIN0001605 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrazin-2-amine |
| Formula | C25H16ClFN6OS |
| Mass | 502.951 |
| Exact Mass | 502.0778858 |
| Composition | C (59.7%), H (3.21%), Cl (7.05%), F (3.78%), N (16.71%), O (3.18%), S (6.38%) |
| Atom Count | 51 |
| PI | 8.17 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#Cc1ncc(nc1)N |
| InChI | 1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24
)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33) |
| InChIKey | KWBKHNYGQSAYCE-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 | 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 |
11420697
|
| Drug Bank Link | - |
| ChemSpider Link | 9595582 |
| ChEMBL Link | - |
