General Property |
Molceule ID (DB) | EGIN0000748 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 45 compound |
IUPAC Name | 4-N-(3-bromophenyl)-7-N,7-N-dimethylquinazoline-4,6,7-triamine |
Formula | C16H16BrN5 |
Mass | 358.236 |
Exact Mass | 357.0589082 |
Composition | C (53.64%), H (4.5%), Br (22.3%), N (19.55%) |
Atom Count | 38 |
PI | 11.62 |
Smiles | c12c(cc(c(c1)N)N(C)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C16H16BrN5/c1-22(2)15-8-14-12(7-13(15)18)16(20-9-19-14)21-11-5-3-4-10(17)6-11/h3-9H,18H2,1-2H3,(H
,19,20,21) |
InChIKey | LVYWXEWYKYOVOX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000748.png) | Structure Backbone | ![](./frame/f_EGIN0000748.png) |
|
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 |
5328211
|
Drug Bank Link | - |
ChemSpider Link | 4485376 |
ChEMBL Link | CHEMBL96489 |