General Property |
Molceule ID (DB) | EGIN0000744 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 41 compound |
IUPAC Name | 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine |
Formula | C16H15BrN4 |
Mass | 343.221 |
Exact Mass | 342.0480091 |
Composition | C (55.99%), H (4.41%), Br (23.28%), N (16.32%) |
Atom Count | 36 |
PI | 10.93 |
Smiles | c12c(cc(cc1)NCC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C16H15BrN4/c1-2-18-12-6-7-14-15(9-12)19-10-20-16(14)21-13-5-3-4-11(17)8-13/h3-10,18H,2H2,1H3,(H,1
9,20,21) |
InChIKey | GXYLLTHBINHTRN-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000744.png) | Structure Backbone | ![](./frame/f_EGIN0000744.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 |
5328209
|
Drug Bank Link | - |
ChemSpider Link | 4485374 |
ChEMBL Link | CHEMBL420254 |