| General Property |
| Molceule ID (DB) | EGIN0000309 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 35 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(morpholin-4-yl)but-2-ynamide |
| Formula | C21H18ClFN6O2 |
| Mass | 440.858 |
| Exact Mass | 440.1163798 |
| Composition | C (57.21%), H (4.12%), Cl (8.04%), F (4.31%), N (19.06%), O (7.26%) |
| Atom Count | 49 |
| PI | 8.32 |
| Smiles | N1(CCOCC1)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C21H18ClFN6O2/c22-16-10-14(3-4-17(16)23)27-21-15-11-19(24-12-18(15)25-13-26-21)28-20(30)2-1-5-29-
6-8-31-9-7-29/h3-4,10-13H,5-9H2,(H,24,28,30)(H,25,26,27) |
| InChIKey | QTRVZMFRXOALDJ-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 |
11539461
|
| Drug Bank Link | - |
| ChemSpider Link | 9714240 |
| ChEMBL Link | CHEMBL202556 |
