| General Property |
| Molceule ID (DB) | EGIN0003099 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[(1E)-{[2-(morpholin-4-yl)ethoxy]imino}methyl]pyrimidin-4-amine |
| Formula | C25H27ClFN5O3 |
| Mass | 499.965 |
| Exact Mass | 499.1786457 |
| Composition | C (60.06%), H (5.44%), Cl (7.09%), F (3.8%), N (14.01%), O (9.6%) |
| Atom Count | 62 |
| PI | 10.72 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=N/OCCN1CCOCC1 |
| InChI | 1S/C25H27ClFN5O3/c1-18-22(15-30-35-12-9-32-7-10-33-11-8-32)25(29-17-28-18)31-21-5-6-24(23(26)14-21)3
4-16-19-3-2-4-20(27)13-19/h2-6,13-15,17H,7-12,16H2,1H3,(H,28,29,31)/b30-15+ |
| InChIKey | NPNDHEQUNCNINZ-FJEPWZHXSA-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 | 21334203 |
| 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 |
53325048
|
| Drug Bank Link | - |
| ChemSpider Link | 26386154 |
| ChEMBL Link | CHEMBL1683958 |
