| General Property |
| Molceule ID (DB) | EGIN0003094 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(pyrrolidin-1-yl)pyrimidin-4-amine |
| Formula | C21H20ClFN4O |
| Mass | 398.861 |
| Exact Mass | 398.1309672 |
| Composition | C (63.24%), H (5.05%), Cl (8.89%), F (4.76%), N (14.05%), O (4.01%) |
| Atom Count | 48 |
| PI | 11.18 |
| Smiles | c1c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)N1CCCC1 |
| InChI | 1S/C21H20ClFN4O/c22-18-11-17(6-7-19(18)28-13-15-4-3-5-16(23)10-15)26-20-12-21(25-14-24-20)27-8-1-2-9
-27/h3-7,10-12,14H,1-2,8-9,13H2,(H,24,25,26) |
| InChIKey | GAMRNOQXQWDHTN-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 |
53317172
|
| Drug Bank Link | - |
| ChemSpider Link | 26385108 |
| ChEMBL Link | CHEMBL1683953 |
