| General Property |
| Molceule ID (DB) | EGIN0003114 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 29 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[5-(pyrrolidin-1-yl)pent-1-yn-1-yl]pyrimidin-4-amine |
| Formula | C27H28ClFN4O |
| Mass | 478.989 |
| Exact Mass | 478.1935675 |
| Composition | C (67.7%), H (5.89%), Cl (7.4%), F (3.97%), N (11.7%), O (3.34%) |
| Atom Count | 62 |
| PI | 12.69 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)C#CCCCN1CCCC1 |
| InChI | 1S/C27H28ClFN4O/c1-20-24(10-3-2-4-13-33-14-5-6-15-33)27(31-19-30-20)32-23-11-12-26(25(28)17-23)34-18
-21-8-7-9-22(29)16-21/h7-9,11-12,16-17,19H,2,4-6,13-15,18H2,1H3,(H,30,31,32) |
| InChIKey | XRGMUYHNNJZTJU-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 |
53325050
|
| Drug Bank Link | - |
| ChemSpider Link | 26386524 |
| ChEMBL Link | CHEMBL1683973 |
