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 | ![](./image/EGIN0000296.png) | Structure Backbone | ![](./frame/f_EGIN0000296.png) |
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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 |