| General Property |
| Molceule ID (DB) | EGIN0004608 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19d |
| IUPAC Name | N-({2-[4-amino-6-({3-chloro-4-[(1-methyl-1H-pyrazol-5-yl)oxy]phenyl}amino)pyrimidin-5-yl]-1,3-oxazol-4-yl}methyl)prop-2-enamide |
| Formula | C21H19ClN8O3 |
| Mass | 466.88 |
| Exact Mass | 466.1268642 |
| Composition | C (54.02%), H (4.1%), Cl (7.59%), N (24%), O (10.28%) |
| Atom Count | 52 |
| PI | 9.6 |
| Smiles | c1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1)Cl)Oc1n(ncc1)C |
| InChI | 1S/C21H19ClN8O3/c1-3-16(31)24-9-13-10-32-21(29-13)18-19(23)25-11-26-20(18)28-12-4-5-15(14(22)8-12)33
-17-6-7-27-30(17)2/h3-8,10-11H,1,9H2,2H3,(H,24,31)(H3,23,25,26,28) |
| InChIKey | ONZOMVRABLUYHJ-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 |
53357891
|
| Drug Bank Link | - |
| ChemSpider Link | 28508219 |
| ChEMBL Link | - |
