| General Property |
| Molceule ID (DB) | EGIN0000298 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}-4-(dibutylamino)but-2-ynamide |
| Formula | C26H29ClFN5O |
| Mass | 481.993 |
| Exact Mass | 481.2044665 |
| Composition | C (64.79%), H (6.06%), Cl (7.36%), F (3.94%), N (14.53%), O (3.32%) |
| Atom Count | 63 |
| PI | 10.45 |
| Smiles | N(CCCC)(CCCC)CC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C26H29ClFN5O/c1-3-5-13-33(14-6-4-2)15-7-8-25(34)31-19-10-12-24-21(16-19)26(30-18-29-24)32-20-9-11
-23(28)22(27)17-20/h9-12,16-18H,3-6,13-15H2,1-2H3,(H,31,34)(H,29,30,32) |
| InChIKey | JCUNURGXJBYRFK-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 |
11518637
|
| Drug Bank Link | - |
| ChemSpider Link | 9693425 |
| ChEMBL Link | CHEMBL202398 |
