General Property |
Molceule ID (DB) | EGIN0000768 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 65 compound |
IUPAC Name | N-(3-bromophenyl)-6,7,8-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 | 9.85 |
Smiles | c12c(c(c(c(c1)OC)OC)OC)ncnc2Nc1cc(ccc1)Br |
InChI | 1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)19-9-20-17(12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3
,(H,19,20,21) |
InChIKey | DKGDRWNQVLEBEV-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 |
5328229
|
Drug Bank Link | - |
ChemSpider Link | 4485394 |
ChEMBL Link | CHEMBL431811 |