| General Property |
| Molceule ID (DB) | EGIN0004573 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2b |
| IUPAC Name | N-[3-(7-{[4-(dimethylamino)-2-methoxyphenyl]amino}-3-methyl-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide |
| Formula | C25H27N7O3 |
| Mass | 473.527 |
| Exact Mass | 473.2175378 |
| Composition | C (63.41%), H (5.75%), N (20.71%), O (10.14%) |
| Atom Count | 62 |
| PI | 8.87 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N(C)C |
| InChI | 1S/C25H27N7O3/c1-6-22(33)27-17-8-7-9-19(12-17)32-23-16(15-31(4)25(32)34)14-26-24(29-23)28-20-11-10-1
8(30(2)3)13-21(20)35-5/h6-14H,1,15H2,2-5H3,(H,27,33)(H,26,28,29) |
| InChIKey | JKYJOELEQGFEIS-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 |
57343704
|
| Drug Bank Link | - |
| ChemSpider Link | 28527898 |
| ChEMBL Link | - |
