| General Property |
| Molceule ID (DB) | EGIN0004594 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19r |
| IUPAC Name | N-[(2-{4-amino-6-[(3,4-dichloro-2-fluorophenyl)amino]pyrimidin-5-yl}-1,3-oxazol-4-yl)methyl]prop-2-enamide |
| Formula | C17H13Cl2FN6O2 |
| Mass | 423.229 |
| Exact Mass | 422.0461073 |
| Composition | C (48.24%), H (3.1%), Cl (16.75%), F (4.49%), N (19.86%), O (7.56%) |
| Atom Count | 41 |
| PI | 8.35 |
| Smiles | c1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1F)Cl)Cl |
| InChI | 1S/C17H13Cl2FN6O2/c1-2-11(27)22-5-8-6-28-17(25-8)12-15(21)23-7-24-16(12)26-10-4-3-9(18)13(19)14(10)2
0/h2-4,6-7H,1,5H2,(H,22,27)(H3,21,23,24,26) |
| InChIKey | IRJLSKTZPNWHCW-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 |
53357893
|
| Drug Bank Link | - |
| ChemSpider Link | 28520986 |
| ChEMBL Link | - |
