| General Property |
| Molceule ID (DB) | EGIN0000300 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}-5-(diethylamino)pent-2-ynamide |
| Formula | C23H23ClFN5O |
| Mass | 439.913 |
| Exact Mass | 439.1575163 |
| Composition | C (62.8%), H (5.27%), Cl (8.06%), F (4.32%), N (15.92%), O (3.64%) |
| Atom Count | 54 |
| PI | 10.59 |
| Smiles | N(CC)(CC)CCC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C23H23ClFN5O/c1-3-30(4-2)12-6-5-7-22(31)28-16-9-11-21-18(13-16)23(27-15-26-21)29-17-8-10-20(25)19
(24)14-17/h8-11,13-15H,3-4,6,12H2,1-2H3,(H,28,31)(H,26,27,29) |
| InChIKey | PKKRQPPSMXAKFM-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 |
11532242
|
| Drug Bank Link | - |
| ChemSpider Link | 9707025 |
| ChEMBL Link | CHEMBL382073 |
