| General Property |
| Molceule ID (DB) | EGIN0001108 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 23 Compound |
| IUPAC Name | 4-N-{3-chloro-4-[(3,5-difluorophenyl)methoxy]phenyl}-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C19H16ClF2N5O2 |
| Mass | 419.812 |
| Exact Mass | 419.0960589 |
| Composition | C (54.36%), H (3.84%), Cl (8.44%), F (9.05%), N (16.68%), O (7.62%) |
| Atom Count | 45 |
| PI | 10.58 |
| Smiles | c1(ncnc(c1/C=N/OC)N)Nc1cc(c(cc1)OCc1cc(cc(c1)F)F)Cl |
| InChI | 1S/C19H16ClF2N5O2/c1-28-26-8-15-18(23)24-10-25-19(15)27-14-2-3-17(16(20)7-14)29-9-11-4-12(21)6-13(22
)5-11/h2-8,10H,9H2,1H3,(H3,23,24,25,27)/b26-8+ |
| InChIKey | PQSHNUPLASBIBU-MWRNPHMMSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23315497 |
| ChEMBL Link | CHEMBL256529 |
