| General Property |
| Molceule ID (DB) | EGIN0004552 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2p |
| IUPAC Name | N-[3-(3-cyclopropyl-7-{[2-methoxy-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 | C30H34N8O3 |
| Mass | 554.6428 |
| Exact Mass | 554.275387 |
| Composition | C (64.96%), H (6.18%), N (20.2%), O (8.65%) |
| Atom Count | 75 |
| PI | 10.39 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C1CC1)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C30H34N8O3/c1-4-27(39)32-21-6-5-7-24(16-21)38-28-20(19-37(30(38)40)22-8-9-22)18-31-29(34-28)33-25
-11-10-23(17-26(25)41-3)36-14-12-35(2)13-15-36/h4-7,10-11,16-18,22H,1,8-9,12-15,19H2,2-3H3,(H,32,39)
(H,31,33,34) |
| InChIKey | AMFPVVQTYDTMMN-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 |
57341489
|
| Drug Bank Link | - |
| ChemSpider Link | 28527987 |
| ChEMBL Link | - |
