| General Property |
| Molceule ID (DB) | EGIN0004560 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2h |
| IUPAC Name | N-{3-[3-methyl-7-(methylamino)-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl]phenyl}prop-2-enamide |
| Formula | C17H18N6O2 |
| Mass | 338.3638 |
| Exact Mass | 338.1491239 |
| Composition | C (60.34%), H (5.36%), N (24.84%), O (9.46%) |
| Atom Count | 43 |
| PI | 8.34 |
| Smiles | CNc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1 |
| InChI | 1S/C17H18N6O2/c1-4-14(24)20-12-6-5-7-13(8-12)23-15-11(10-22(3)17(23)25)9-19-16(18-2)21-15/h4-9H,1,10
H2,2-3H3,(H,20,24)(H,18,19,21) |
| InChIKey | LYESCJLRRXBLPH-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 | 22339342 |
| 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 |
57341103
|
| Drug Bank Link | - |
| ChemSpider Link | 28506799 |
| ChEMBL Link | - |
