| General Property |
| Molceule ID (DB) | EGIN0004598 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19n |
| IUPAC Name | N-{[2-(4-amino-6-{[3-chloro-4-(pyridin-3-yloxy)phenyl]amino}pyrimidin-5-yl)-1,3-oxazol-4-yl]methyl}prop-2-enamide |
| Formula | C22H18ClN7O3 |
| Mass | 463.876 |
| Exact Mass | 463.1159652 |
| Composition | C (56.96%), H (3.91%), Cl (7.64%), N (21.14%), O (10.35%) |
| Atom Count | 51 |
| PI | 9.66 |
| Smiles | c1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1)Cl)Oc1cccnc1 |
| InChI | 1S/C22H18ClN7O3/c1-2-18(31)26-9-14-11-32-22(30-14)19-20(24)27-12-28-21(19)29-13-5-6-17(16(23)8-13)33
-15-4-3-7-25-10-15/h2-8,10-12H,1,9H2,(H,26,31)(H3,24,27,28,29) |
| InChIKey | WKWVGTVCKYMBGT-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 |
53357761
|
| Drug Bank Link | - |
| ChemSpider Link | 28521171 |
| ChEMBL Link | - |
