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 | |
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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 |
11518637
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Drug Bank Link | - |
ChemSpider Link | 9693425 |
ChEMBL Link | CHEMBL202398 |