| General Property |
| Molceule ID (DB) | EGIN0004548 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2s |
| IUPAC Name | N-[3-(3-benzyl-7-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide |
| Formula | C34H36N8O3 |
| Mass | 604.7014 |
| Exact Mass | 604.2910371 |
| Composition | C (67.53%), H (6%), N (18.53%), O (7.94%) |
| Atom Count | 81 |
| PI | 10.39 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)Cc1ccccc1)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C34H36N8O3/c1-4-31(43)36-26-11-8-12-28(19-26)42-32-25(23-41(34(42)44)22-24-9-6-5-7-10-24)21-35-33
(38-32)37-29-14-13-27(20-30(29)45-3)40-17-15-39(2)16-18-40/h4-14,19-21H,1,15-18,22-23H2,2-3H3,(H,36,
43)(H,35,37,38) |
| InChIKey | JARUUYXHPLGHLF-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 |
57341660
|
| Drug Bank Link | - |
| ChemSpider Link | 28507199 |
| ChEMBL Link | - |
