General Property |
Molceule ID (DB) | EGIN0004059 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 15 compound |
IUPAC Name | N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine |
Formula | C17H16FN3O2 |
Mass | 313.3262 |
Exact Mass | 313.122655 |
Composition | C (65.17%), H (5.15%), F (6.06%), N (13.41%), O (10.21%) |
Atom Count | 39 |
PI | 12.32 |
Smiles | c1(c(cc2c(c1)c(ncn2)NCc1ccc(cc1)F)OC)OC |
InChI | 1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-
2H3,(H,19,20,21) |
InChIKey | LASSDHMCHFNZJI-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 | 16279804 |
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 |
1474879
|
Drug Bank Link | - |
ChemSpider Link | 1216705 |
ChEMBL Link | CHEMBL374810 |