General Property |
Molceule ID (DB) | EGIN0000767 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 64 compound |
IUPAC Name | N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine |
Formula | C17H16BrN3O3 |
Mass | 390.231 |
Exact Mass | 389.037504 |
Composition | C (52.32%), H (4.13%), Br (20.48%), N (10.77%), O (12.3%) |
Atom Count | 40 |
PI | 10.37 |
Smiles | c12c(cc(c(c1OC)OC)OC)ncnc2Nc1cc(ccc1)Br |
InChI | 1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3
,(H,19,20,21) |
InChIKey | MMRJGOKRGZAQNE-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 | 8568816 |
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 |
5328228
|
Drug Bank Link | - |
ChemSpider Link | 4485393 |
ChEMBL Link | CHEMBL317925 |