| General Property |
| Molceule ID (DB) | EGIN0004564 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2e |
| IUPAC Name | N-[3-(7-{[2-methoxy-4-(4-methyl-1,4-diazepan-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 | C29H34N8O3 |
| Mass | 542.6321 |
| Exact Mass | 542.275387 |
| Composition | C (64.19%), H (6.32%), N (20.65%), O (8.85%) |
| Atom Count | 74 |
| PI | 10.89 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCN(CCC1)C |
| InChI | 1S/C29H34N8O3/c1-5-26(38)31-21-8-6-9-23(16-21)37-27-20(19-35(3)29(37)39)18-30-28(33-27)32-24-11-10-2
2(17-25(24)40-4)36-13-7-12-34(2)14-15-36/h5-6,8-11,16-18H,1,7,12-15,19H2,2-4H3,(H,31,38)(H,30,32,33) |
| InChIKey | VQXJJEGSNGGQJK-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 |
57341100
|
| Drug Bank Link | - |
| ChemSpider Link | 28527765 |
| ChEMBL Link | - |
