| General Property |
| Molceule ID (DB) | EGIN0000310 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-5-(morpholin-4-yl)pent-2-ynamide |
| Formula | C22H20ClFN6O2 |
| Mass | 454.885 |
| Exact Mass | 454.1320298 |
| Composition | C (58.09%), H (4.43%), Cl (7.79%), F (4.18%), N (18.48%), O (7.03%) |
| Atom Count | 52 |
| PI | 8.69 |
| Smiles | N1(CCOCC1)CCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C22H20ClFN6O2/c23-17-11-15(4-5-18(17)24)28-22-16-12-20(25-13-19(16)26-14-27-22)29-21(31)3-1-2-6-3
0-7-9-32-10-8-30/h4-5,11-14H,2,6-10H2,(H,25,29,31)(H,26,27,28) |
| InChIKey | JJHXVSSJRMTBMC-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 |
11568720
|
| Drug Bank Link | - |
| ChemSpider Link | 9743490 |
| ChEMBL Link | CHEMBL203661 |
