| General Property |
| Molceule ID (DB) | EGIN0004569 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2c |
| IUPAC Name | N-[3-(7-{[2-methoxy-4-(piperidin-1-yl)phenyl]amino}-3-methyl-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide |
| Formula | C28H31N7O3 |
| Mass | 513.5908 |
| Exact Mass | 513.2488379 |
| Composition | C (65.48%), H (6.08%), N (19.09%), O (9.35%) |
| Atom Count | 69 |
| PI | 9.15 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCCCC1 |
| InChI | 1S/C28H31N7O3/c1-4-25(36)30-20-9-8-10-22(15-20)35-26-19(18-33(2)28(35)37)17-29-27(32-26)31-23-12-11-
21(16-24(23)38-3)34-13-6-5-7-14-34/h4,8-12,15-17H,1,5-7,13-14,18H2,2-3H3,(H,30,36)(H,29,31,32) |
| InChIKey | LVNSLWQSIRXKLZ-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 |
57343705
|
| Drug Bank Link | - |
| ChemSpider Link | 28527899 |
| ChEMBL Link | - |
