General Property |
Molceule ID (DB) | EGIN0003090 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methylpyrimidin-4-amine |
Formula | C18H15ClFN3O |
Mass | 343.783 |
Exact Mass | 343.088768 |
Composition | C (62.89%), H (4.4%), Cl (10.31%), F (5.53%), N (12.22%), O (4.65%) |
Atom Count | 39 |
PI | 10.79 |
Smiles | c1c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C |
InChI | 1S/C18H15ClFN3O/c1-12-7-18(22-11-21-12)23-15-5-6-17(16(19)9-15)24-10-13-3-2-4-14(20)8-13/h2-9,11H,10
H2,1H3,(H,21,22,23) |
InChIKey | UVYILPAEBXSCTR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003090.png) | Structure Backbone | ![](./frame/f_EGIN0003090.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 |
53318457
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL1683949 |