| General Property |
| Molceule ID (DB) | EGIN0000306 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 32 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(diethylamino)but-2-ynamide |
| Formula | C21H20ClFN6O |
| Mass | 426.875 |
| Exact Mass | 426.1371152 |
| Composition | C (59.09%), H (4.72%), Cl (8.31%), F (4.45%), N (19.69%), O (3.75%) |
| Atom Count | 50 |
| PI | 9.66 |
| Smiles | N(CC)(CC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C21H20ClFN6O/c1-3-29(4-2)9-5-6-20(30)28-19-11-15-18(12-24-19)25-13-26-21(15)27-14-7-8-17(23)16(22
)10-14/h7-8,10-13H,3-4,9H2,1-2H3,(H,24,28,30)(H,25,26,27) |
| InChIKey | MCIZZPUSTVXXPG-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 |
11711590
|
| Drug Bank Link | - |
| ChemSpider Link | 9886312 |
| ChEMBL Link | CHEMBL202425 |
