General Property |
Molceule ID (DB) | EGIN0000583 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
Formula | C21H22ClFN4O2 |
Mass | 416.876 |
Exact Mass | 416.1415319 |
Composition | C (60.5%), H (5.32%), Cl (8.5%), F (4.56%), N (13.44%), O (7.68%) |
Atom Count | 51 |
PI | 11.85 |
Smiles | c12c(cc(cc1OC1CCN(CC1)C)OC)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-19-11-15(28-2)10-18-20(19)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 | JJGWQXMAOXKYNE-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 |
10180188
|
Drug Bank Link | - |
ChemSpider Link | 8355691 |
ChEMBL Link | CHEMBL203295 |