| General Property |
| Molceule ID (DB) | EGIN0003097 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-ethyl-5-methylpyrimidin-4-amine |
| Formula | C20H19ClFN3O |
| Mass | 371.836 |
| Exact Mass | 371.1200682 |
| Composition | C (64.6%), H (5.15%), Cl (9.53%), F (5.11%), N (11.3%), O (4.3%) |
| Atom Count | 45 |
| PI | 10.82 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)CC)C |
| InChI | 1S/C20H19ClFN3O/c1-3-18-13(2)20(24-12-23-18)25-16-7-8-19(17(21)10-16)26-11-14-5-4-6-15(22)9-14/h4-10
,12H,3,11H2,1-2H3,(H,23,24,25) |
| InChIKey | HREKDLNKESWDHN-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 | 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 |
53322413
|
| Drug Bank Link | - |
| ChemSpider Link | 26388078 |
| ChEMBL Link | CHEMBL1683956 |
