General Property |
Molceule ID (DB) | EGIN0000593 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-5-[(1-methanesulfonylpiperidin-4-yl)oxy]-7-methoxyquinazolin-4-amine |
Formula | C21H22ClFN4O4S |
Mass | 480.94 |
Exact Mass | 480.1034318 |
Composition | C (52.44%), H (4.61%), Cl (7.37%), F (3.95%), N (11.65%), O (13.31%), S (6.67%) |
Atom Count | 54 |
PI | 10.05 |
Smiles | c12c(cc(cc1OC1CCN(CC1)S(=O)(=O)C)OC)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C21H22ClFN4O4S/c1-30-15-10-18-20(19(11-15)31-14-5-7-27(8-6-14)32(2,28)29)21(25-12-24-18)26-13-3-4
-17(23)16(22)9-13/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26) |
InChIKey | KUQKYMFIGLVQMY-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 | 16380259 |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 23267865 |
ChEMBL Link | CHEMBL379017 |