| General Property |
| Molceule ID (DB) | EGIN0004555 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2m |
| IUPAC Name | N-[3-(3-methyl-7-{[2-methyl-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 | C28H32N8O2 |
| Mass | 512.6061 |
| Exact Mass | 512.2648223 |
| Composition | C (65.61%), H (6.29%), N (21.86%), O (6.24%) |
| Atom Count | 70 |
| PI | 11.02 |
| Smiles | c1(ccc(c(c1)C)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C28H32N8O2/c1-5-25(37)30-21-7-6-8-23(16-21)36-26-20(18-34(4)28(36)38)17-29-27(32-26)31-24-10-9-22
(15-19(24)2)35-13-11-33(3)12-14-35/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,30,37)(H,29,31,32) |
| InChIKey | ZZGGOXMEIWLVTJ-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 |
57341298
|
| Drug Bank Link | - |
| ChemSpider Link | 28527984 |
| ChEMBL Link | - |
