| General Property |
| Molceule ID (DB) | EGIN0000296 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}-4-(diethylamino)but-2-ynamide |
| Formula | C22H21ClFN5O |
| Mass | 425.886 |
| Exact Mass | 425.1418662 |
| Composition | C (62.04%), H (4.97%), Cl (8.32%), F (4.46%), N (16.44%), O (3.76%) |
| Atom Count | 51 |
| PI | 10.15 |
| Smiles | N(CC)(CC)CC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C22H21ClFN5O/c1-3-29(4-2)11-5-6-21(30)27-15-8-10-20-17(12-15)22(26-14-25-20)28-16-7-9-19(24)18(23
)13-16/h7-10,12-14H,3-4,11H2,1-2H3,(H,27,30)(H,25,26,28) |
| InChIKey | FQGVUAQWOXXERW-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 |
11553647
|
| Drug Bank Link | - |
| ChemSpider Link | 9728425 |
| ChEMBL Link | CHEMBL373207 |
