| General Property |
| Molceule ID (DB) | EGIN0000795 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8t compound |
| IUPAC Name | (6-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}pyridin-2-yl)methanol |
| Formula | C25H18ClFN4O2 |
| Mass | 460.887 |
| Exact Mass | 460.1102318 |
| Composition | C (65.15%), H (3.94%), Cl (7.69%), F (4.12%), N (12.16%), O (6.94%) |
| Atom Count | 51 |
| PI | 8.56 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(n1)CO |
| InChI | 1S/C25H18ClFN4O2/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)31-25-18(13-28-16-29-25)7-8-20-5
-2-6-22(14-32)30-20/h1-6,9-13,16,32H,14-15H2,(H,28,29,31) |
| InChIKey | KLYDITFOXCQQER-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 | 16483772 |
| 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 |
11576231
|
| Drug Bank Link | - |
| ChemSpider Link | 9751001 |
| ChEMBL Link | CHEMBL204570 |
