| General Property |
| Molceule ID (DB) | EGIN0000308 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 34 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dibutylamino)but-2-ynamide |
| Formula | C25H28ClFN6O |
| Mass | 482.981 |
| Exact Mass | 482.1997155 |
| Composition | C (62.17%), H (5.84%), Cl (7.34%), F (3.93%), N (17.4%), O (3.31%) |
| Atom Count | 62 |
| PI | 9.96 |
| Smiles | N(CCCC)(CCCC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C25H28ClFN6O/c1-3-5-11-33(12-6-4-2)13-7-8-24(34)32-23-15-19-22(16-28-23)29-17-30-25(19)31-18-9-10
-21(27)20(26)14-18/h9-10,14-17H,3-6,11-13H2,1-2H3,(H,28,32,34)(H,29,30,31) |
| InChIKey | GHQPLJWMCNPRIH-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 | 16480284 |
| 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 |
11634425
|
| Drug Bank Link | - |
| ChemSpider Link | 9809169 |
| ChEMBL Link | CHEMBL202421 |
