General Property |
Molceule ID (DB) | EGIN0000739 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 36 compound |
IUPAC Name | 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-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 | 10.52 |
Smiles | c12c(ccc(c1)N(C)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C16H15BrN4/c1-21(2)13-6-7-15-14(9-13)16(19-10-18-15)20-12-5-3-4-11(17)8-12/h3-10H,1-2H3,(H,18,19,
20) |
InChIKey | BNMOXMJDRLQWOW-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 |
5328204
|
Drug Bank Link | - |
ChemSpider Link | 4485369 |
ChEMBL Link | CHEMBL52015 |