| General Property |
| Molceule ID (DB) | EGIN0003101 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine |
| Formula | C29H28ClFN4O2 |
| Mass | 519.01 |
| Exact Mass | 518.1884821 |
| Composition | C (67.11%), H (5.44%), Cl (6.83%), F (3.66%), N (10.79%), O (6.17%) |
| Atom Count | 65 |
| PI | 11.47 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)c1cc(ccc1)CN1CCOCC1 |
| InChI | 1S/C29H28ClFN4O2/c1-20-28(23-6-2-4-21(14-23)17-35-10-12-36-13-11-35)29(33-19-32-20)34-25-8-9-27(26(3
0)16-25)37-18-22-5-3-7-24(31)15-22/h2-9,14-16,19H,10-13,17-18H2,1H3,(H,32,33,34) |
| InChIKey | GKWOYHUYOVPTDE-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 |
53317174
|
| Drug Bank Link | - |
| ChemSpider Link | 26384700 |
| ChEMBL Link | CHEMBL1683960 |
