| General Property |
| Molceule ID (DB) | EGIN0003092 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(pyridin-3-yl)pyrimidin-4-amine |
| Formula | C22H16ClFN4O |
| Mass | 406.84 |
| Exact Mass | 406.0996671 |
| Composition | C (64.95%), H (3.96%), Cl (8.71%), F (4.67%), N (13.77%), O (3.93%) |
| Atom Count | 45 |
| PI | 10.17 |
| Smiles | c1c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1cccnc1 |
| InChI | 1S/C22H16ClFN4O/c23-19-10-18(6-7-21(19)29-13-15-3-1-5-17(24)9-15)28-22-11-20(26-14-27-22)16-4-2-8-25
-12-16/h1-12,14H,13H2,(H,26,27,28) |
| InChIKey | LLGRWVCEOGRFJQ-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 |
53324027
|
| Drug Bank Link | - |
| ChemSpider Link | 26386970 |
| ChEMBL Link | CHEMBL1683951 |
