| General Property |
| Molceule ID (DB) | EGIN0004566 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2d |
| IUPAC Name | N-[3-(7-{[2-methoxy-4-(morpholin-4-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 | C27H29N7O4 |
| Mass | 515.5637 |
| Exact Mass | 515.2281025 |
| Composition | C (62.9%), H (5.67%), N (19.02%), O (12.41%) |
| Atom Count | 67 |
| PI | 7.23 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCOCC1 |
| InChI | 1S/C27H29N7O4/c1-4-24(35)29-19-6-5-7-21(14-19)34-25-18(17-32(2)27(34)36)16-28-26(31-25)30-22-9-8-20(
15-23(22)37-3)33-10-12-38-13-11-33/h4-9,14-16H,1,10-13,17H2,2-3H3,(H,29,35)(H,28,30,31) |
| InChIKey | MYGPUCMHVBVSTH-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 |
57343706
|
| Drug Bank Link | - |
| ChemSpider Link | 28527764 |
| ChEMBL Link | - |
