| General Property |
| Molceule ID (DB) | EGIN0003102 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[5-(morpholin-4-yl)pent-1-yn-1-yl]pyrimidin-4-amine |
| Formula | C27H28ClFN4O2 |
| Mass | 494.988 |
| Exact Mass | 494.1884821 |
| Composition | C (65.51%), H (5.7%), Cl (7.16%), F (3.84%), N (11.32%), O (6.46%) |
| Atom Count | 63 |
| PI | 11.51 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)C#CCCCN1CCOCC1 |
| InChI | 1S/C27H28ClFN4O2/c1-20-24(8-3-2-4-11-33-12-14-34-15-13-33)27(31-19-30-20)32-23-9-10-26(25(28)17-23)3
5-18-21-6-5-7-22(29)16-21/h5-7,9-10,16-17,19H,2,4,11-15,18H2,1H3,(H,30,31,32) |
| InChIKey | QVKVCKWOXKTLCP-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 |
53319790
|
| Drug Bank Link | - |
| ChemSpider Link | 26387329 |
| ChEMBL Link | CHEMBL1683961 |
