| General Property |
| Molceule ID (DB) | EGIN0000297 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | 4-[bis(propan-2-yl)amino]-N-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}but-2-ynamide |
| Formula | C24H25ClFN5O |
| Mass | 453.94 |
| Exact Mass | 453.1731664 |
| Composition | C (63.5%), H (5.55%), Cl (7.81%), F (4.19%), N (15.43%), O (3.52%) |
| Atom Count | 57 |
| PI | 10.45 |
| Smiles | N(C(C)C)(C(C)C)CC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C24H25ClFN5O/c1-15(2)31(16(3)4)11-5-6-23(32)29-17-8-10-22-19(12-17)24(28-14-27-22)30-18-7-9-21(26
)20(25)13-18/h7-10,12-16H,11H2,1-4H3,(H,29,32)(H,27,28,30) |
| InChIKey | UMWZSZYWDMVROC-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 |
11719423
|
| Drug Bank Link | - |
| ChemSpider Link | 9894141 |
| ChEMBL Link | CHEMBL380669 |
