| General Property |
| Molceule ID (DB) | EGIN0003098 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-methyl-6-phenylpyrimidin-4-amine |
| Formula | C24H19ClFN3O |
| Mass | 419.879 |
| Exact Mass | 419.1200682 |
| Composition | C (68.65%), H (4.56%), Cl (8.44%), F (4.52%), N (10.01%), O (3.81%) |
| Atom Count | 49 |
| PI | 10.19 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccccc1)C |
| InChI | 1S/C24H19ClFN3O/c1-16-23(18-7-3-2-4-8-18)27-15-28-24(16)29-20-10-11-22(21(25)13-20)30-14-17-6-5-9-19
(26)12-17/h2-13,15H,14H2,1H3,(H,27,28,29) |
| InChIKey | KYLIRXGFQWOYMP-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 |
53324200
|
| Drug Bank Link | - |
| ChemSpider Link | 26389018 |
| ChEMBL Link | CHEMBL1683957 |
