General Property |
Molceule ID (DB) | EGIN0000743 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 40 compound |
IUPAC Name | 4-N-(3-bromophenyl)-7-N-methylquinazoline-4,7-diamine |
Formula | C15H13BrN4 |
Mass | 329.195 |
Exact Mass | 328.0323591 |
Composition | C (54.73%), H (3.98%), Br (24.27%), N (17.02%) |
Atom Count | 33 |
PI | 10.94 |
Smiles | c12c(cc(cc1)NC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C15H13BrN4/c1-17-11-5-6-13-14(8-11)18-9-19-15(13)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20) |
InChIKey | NJCGPPRBJLJTPA-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 |
5328208
|
Drug Bank Link | - |
ChemSpider Link | 4485373 |
ChEMBL Link | CHEMBL92812 |