| General Property |
| Molceule ID (DB) | EGIN0004595 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19q |
| IUPAC Name | N-[(2-{4-amino-6-[(3-chloro-4-fluorophenyl)amino]pyrimidin-5-yl}-1,3-oxazol-4-yl)methyl]prop-2-enamide |
| Formula | C17H14ClFN6O2 |
| Mass | 388.783 |
| Exact Mass | 388.0850796 |
| Composition | C (52.52%), H (3.63%), Cl (9.12%), F (4.89%), N (21.62%), O (8.23%) |
| Atom Count | 41 |
| PI | 9.57 |
| Smiles | c1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C17H14ClFN6O2/c1-2-13(26)21-6-10-7-27-17(25-10)14-15(20)22-8-23-16(14)24-9-3-4-12(19)11(18)5-9/h2
-5,7-8H,1,6H2,(H,21,26)(H3,20,22,23,24) |
| InChIKey | KOKWLJWEESNBOB-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 | 22372864 |
| 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 |
53358007
|
| Drug Bank Link | - |
| ChemSpider Link | 28522039 |
| ChEMBL Link | - |
