| General Property |
| Molceule ID (DB) | EGIN0004577 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2a |
| IUPAC Name | N-[3-(7-{[2-methoxy-4-(4-methylpiperazin-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 | C28H32N8O3 |
| Mass | 528.6055 |
| Exact Mass | 528.2597369 |
| Composition | C (63.62%), H (6.1%), N (21.2%), O (9.08%) |
| Atom Count | 71 |
| PI | 10.39 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C28H32N8O3/c1-5-25(37)30-20-7-6-8-22(15-20)36-26-19(18-34(3)28(36)38)17-29-27(32-26)31-23-10-9-21
(16-24(23)39-4)35-13-11-33(2)12-14-35/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,30,37)(H,29,31,32) |
| InChIKey | ALLFOBCVMVMHJI-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 |
57343703
|
| Drug Bank Link | - |
| ChemSpider Link | 28505685 |
| ChEMBL Link | - |
