| General Property |
| Molceule ID (DB) | EGIN0000796 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8u compound |
| IUPAC Name | 5-{2-[6-(aminomethyl)pyridin-2-yl]ethynyl}-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}pyrimidin-4-amine |
| Formula | C25H19ClFN5O |
| Mass | 459.903 |
| Exact Mass | 459.1262162 |
| Composition | C (65.29%), H (4.16%), Cl (7.71%), F (4.13%), N (15.23%), O (3.48%) |
| Atom Count | 52 |
| PI | 11.95 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(n1)CN |
| InChI | 1S/C25H19ClFN5O/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)32-25-18(14-29-16-30-25)7-8-20-5-
2-6-22(13-28)31-20/h1-6,9-12,14,16H,13,15,28H2,(H,29,30,32) |
| InChIKey | KLTQGAMYJOKNCI-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 |
11525434
|
| Drug Bank Link | - |
| ChemSpider Link | 9700220 |
| ChEMBL Link | CHEMBL206003 |
