| General Property |
| Molceule ID (DB) | EGIN0004551 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2q |
| IUPAC Name | N-[3-(7-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3-phenyl-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide |
| Formula | C33H34N8O3 |
| Mass | 590.6749 |
| Exact Mass | 590.275387 |
| Composition | C (67.1%), H (5.8%), N (18.97%), O (8.13%) |
| Atom Count | 78 |
| PI | 10.39 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)c1ccccc1)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C33H34N8O3/c1-4-30(42)35-24-9-8-12-27(19-24)41-31-23(22-40(33(41)43)25-10-6-5-7-11-25)21-34-32(37
-31)36-28-14-13-26(20-29(28)44-3)39-17-15-38(2)16-18-39/h4-14,19-21H,1,15-18,22H2,2-3H3,(H,35,42)(H,
34,36,37) |
| InChIKey | QSMLEYYCYZLPGW-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 |
57341490
|
| Drug Bank Link | - |
| ChemSpider Link | 28527988 |
| ChEMBL Link | - |
