| General Property |
| Molceule ID (DB) | EGIN0004607 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19e |
| IUPAC Name | N-[(2-{4-amino-6-[(3-chloro-4-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}phenyl)amino]pyrimidin-5-yl}-1,3-oxazol-4-yl)methyl]prop-2-enamide |
| Formula | C22H18ClF3N8O3 |
| Mass | 534.878 |
| Exact Mass | 534.1142488 |
| Composition | C (49.4%), H (3.39%), Cl (6.63%), F (10.66%), N (20.95%), O (8.97%) |
| Atom Count | 55 |
| PI | 9.6 |
| Smiles | c1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1)Cl)Oc1n(nc(c1)C(F)(F)F)C |
| InChI | 1S/C22H18ClF3N8O3/c1-3-16(35)28-8-12-9-36-21(32-12)18-19(27)29-10-30-20(18)31-11-4-5-14(13(23)6-11)3
7-17-7-15(22(24,25)26)33-34(17)2/h3-7,9-10H,1,8H2,2H3,(H,28,35)(H3,27,29,30,31) |
| InChIKey | ZRZKVZZVULTROL-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 |
53357892
|
| Drug Bank Link | - |
| ChemSpider Link | 28508220 |
| ChEMBL Link | - |
