| General Property |
| Molceule ID (DB) | EGIN0004554 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2n |
| IUPAC Name | N-[3-(7-{[2-fluoro-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 | C27H29FN8O2 |
| Mass | 516.57 |
| Exact Mass | 516.2397504 |
| Composition | C (62.78%), H (5.66%), F (3.68%), N (21.69%), O (6.19%) |
| Atom Count | 67 |
| PI | 9.85 |
| Smiles | c1(ccc(c(c1)F)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C27H29FN8O2/c1-4-24(37)30-19-6-5-7-21(14-19)36-25-18(17-34(3)27(36)38)16-29-26(32-25)31-23-9-8-20
(15-22(23)28)35-12-10-33(2)11-13-35/h4-9,14-16H,1,10-13,17H2,2-3H3,(H,30,37)(H,29,31,32) |
| InChIKey | NTELLZOPFKQQHJ-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 |
57341299
|
| Drug Bank Link | - |
| ChemSpider Link | 28527985 |
| ChEMBL Link | - |
