| General Property |
| Molceule ID (DB) | EGIN0003112 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[3-(morpholin-4-yl)prop-1-yn-1-yl]pyrimidin-4-amine |
| Formula | C25H24ClFN4O2 |
| Mass | 466.935 |
| Exact Mass | 466.1571819 |
| Composition | C (64.31%), H (5.18%), Cl (7.59%), F (4.07%), N (12%), O (6.85%) |
| Atom Count | 57 |
| PI | 10.32 |
| Smiles | C(N1CCOCC1)C#Cc1c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C |
| InChI | 1S/C25H24ClFN4O2/c1-18-22(6-3-9-31-10-12-32-13-11-31)25(29-17-28-18)30-21-7-8-24(23(26)15-21)33-16-1
9-4-2-5-20(27)14-19/h2,4-5,7-8,14-15,17H,9-13,16H2,1H3,(H,28,29,30) |
| InChIKey | DAPDIOHPATXXKN-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 |
53326342
|
| Drug Bank Link | - |
| ChemSpider Link | 26386490 |
| ChEMBL Link | CHEMBL1683971 |
