General Property |
Molceule ID (DB) | EGIN0000752 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 49 compound |
IUPAC Name | 4-N-(3-bromophenyl)-7-N-methyl-6-nitroquinazoline-4,7-diamine |
Formula | C15H12BrN5O2 |
Mass | 374.192 |
Exact Mass | 373.0174373 |
Composition | C (48.15%), H (3.23%), Br (21.35%), N (18.72%), O (8.55%) |
Atom Count | 35 |
PI | 10.02 |
Smiles | c12c(cc(c(c1)N(=O)=O)NC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C15H12BrN5O2/c1-17-13-7-12-11(6-14(13)21(22)23)15(19-8-18-12)20-10-4-2-3-9(16)5-10/h2-8,17H,1H3,(
H,18,19,20) |
InChIKey | SIBSADYFORJTDQ-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 |
5328215
|
Drug Bank Link | - |
ChemSpider Link | 4485380 |
ChEMBL Link | CHEMBL92936 |