General Property |
Molceule ID (DB) | EGIN0000771 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 68 compound |
IUPAC Name | N-(3,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine |
Formula | C16H13Br2N3O2 |
Mass | 439.101 |
Exact Mass | 436.937452 |
Composition | C (43.76%), H (2.98%), Br (36.39%), N (9.57%), O (7.29%) |
Atom Count | 36 |
PI | 10.25 |
Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cc(c(cc1)Br)Br |
InChI | 1S/C16H13Br2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3,(H
,19,20,21) |
InChIKey | RCDYQKFTBRQJIS-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 |
5328231
|
Drug Bank Link | - |
ChemSpider Link | 4485396 |
ChEMBL Link | CHEMBL327307 |