General Property |
Molceule ID (DB) | EGIN0000755 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 52 compound |
IUPAC Name | N-(3-bromophenyl)-7-methoxy-6-nitroquinazolin-4-amine |
Formula | C15H11BrN4O3 |
Mass | 375.177 |
Exact Mass | 374.0014529 |
Composition | C (48.02%), H (2.96%), Br (21.3%), N (14.93%), O (12.79%) |
Atom Count | 34 |
PI | 9.41 |
Smiles | c12c(cc(c(c1)N(=O)=O)OC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C15H11BrN4O3/c1-23-14-7-12-11(6-13(14)20(21)22)15(18-8-17-12)19-10-4-2-3-9(16)5-10/h2-8H,1H3,(H,1
7,18,19) |
InChIKey | CZBTZBBBQGIOGA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000755.png) | Structure Backbone | ![](./frame/f_EGIN0000755.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 |
5328218
|
Drug Bank Link | - |
ChemSpider Link | 4485383 |
ChEMBL Link | CHEMBL65038 |