| General Property |
| Molceule ID (DB) | EGIN0004543 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2w |
| IUPAC Name | 1-(3-aminophenyl)-7-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-3-methyl-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-2-one |
| Formula | C25H30N8O2 |
| Mass | 474.5581 |
| Exact Mass | 474.2491722 |
| Composition | C (63.27%), H (6.37%), N (23.61%), O (6.74%) |
| Atom Count | 65 |
| PI | 10.41 |
| Smiles | COc1c(Nc2nc3c(CN(C)C(=O)N3c3cc(N)ccc3)cn2)ccc(c1)N1CCN(C)CC1 |
| InChI | 1S/C25H30N8O2/c1-30-9-11-32(12-10-30)19-7-8-21(22(14-19)35-3)28-24-27-15-17-16-31(2)25(34)33(23(17)2
9-24)20-6-4-5-18(26)13-20/h4-8,13-15H,9-12,16,26H2,1-3H3,(H,27,28,29) |
| InChIKey | AAFHSECTTHOVFV-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 |
57341838
|
| Drug Bank Link | - |
| ChemSpider Link | 28509082 |
| ChEMBL Link | - |
