| General Property |
| Molceule ID (DB) | EGIN0004603 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19i |
| IUPAC Name | N-{[2-(4-amino-6-{[3-chloro-4-(2,3-dichlorophenoxy)phenyl]amino}pyrimidin-5-yl)-1,3-oxazol-4-yl]methyl}prop-2-enamide |
| Formula | C23H17Cl3N6O3 |
| Mass | 531.778 |
| Exact Mass | 530.0427716 |
| Composition | C (51.95%), H (3.22%), Cl (20%), N (15.8%), O (9.03%) |
| Atom Count | 52 |
| PI | 9.62 |
| Smiles | c1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1)Cl)Oc1c(c(ccc1)Cl)Cl |
| InChI | 1S/C23H17Cl3N6O3/c1-2-18(33)28-9-13-10-34-23(32-13)19-21(27)29-11-30-22(19)31-12-6-7-16(15(25)8-12)3
5-17-5-3-4-14(24)20(17)26/h2-8,10-11H,1,9H2,(H,28,33)(H3,27,29,30,31) |
| InChIKey | QBUMXWIWJXORIL-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 |
53357504
|
| Drug Bank Link | - |
| ChemSpider Link | 28508240 |
| ChEMBL Link | - |
