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 | ![](./image/EGIN0003097.png) | Structure Backbone | ![](./frame/f_EGIN0003097.png) |
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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 |