| General Property |
| Molceule ID (DB) | EGIN0001114 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 29 Compound |
| IUPAC Name | 4-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C19H17ClFN5O2 |
| Mass | 401.822 |
| Exact Mass | 401.1054807 |
| Composition | C (56.79%), H (4.26%), Cl (8.82%), F (4.73%), N (17.43%), O (7.96%) |
| Atom Count | 45 |
| PI | 10.58 |
| Smiles | c1(ncnc(c1/C=N/OC)N)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C19H17ClFN5O2/c1-27-25-9-15-18(22)23-11-24-19(15)26-14-5-6-17(16(20)8-14)28-10-12-3-2-4-13(21)7-1
2/h2-9,11H,10H2,1H3,(H3,22,23,24,26)/b25-9+ |
| InChIKey | GGPWWEAGMSDXFA-YCPBAFNGSA-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 | 18508264 |
| 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 |
17747134
|
| Drug Bank Link | - |
| ChemSpider Link | 23315409 |
| ChEMBL Link | CHEMBL256297 |
