| General Property |
| Molceule ID (DB) | EGIN0004561 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2g |
| IUPAC Name | N-{3-[3-methyl-2-oxo-7-(phenylamino)-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl]phenyl}prop-2-enamide |
| Formula | C22H20N6O2 |
| Mass | 400.4332 |
| Exact Mass | 400.1647739 |
| Composition | C (65.99%), H (5.03%), N (20.99%), O (7.99%) |
| Atom Count | 50 |
| PI | 7.05 |
| Smiles | c1ccc(cc1)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C |
| InChI | 1S/C22H20N6O2/c1-3-19(29)24-17-10-7-11-18(12-17)28-20-15(14-27(2)22(28)30)13-23-21(26-20)25-16-8-5-4
-6-9-16/h3-13H,1,14H2,2H3,(H,24,29)(H,23,25,26) |
| InChIKey | JRIQEYXFGMOIRI-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 |
57341102
|
| Drug Bank Link | - |
| ChemSpider Link | 28528248 |
| ChEMBL Link | - |
