General Property |
Molceule ID (DB) | EGIN0000742 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 39 compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-7-yl}acetamide |
Formula | C16H13BrN4O |
Mass | 357.205 |
Exact Mass | 356.0272737 |
Composition | C (53.8%), H (3.67%), Br (22.37%), N (15.68%), O (4.48%) |
Atom Count | 35 |
PI | 8.65 |
Smiles | c12c(cc(cc1)NC(=O)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C16H13BrN4O/c1-10(22)20-13-5-6-14-15(8-13)18-9-19-16(14)21-12-4-2-3-11(17)7-12/h2-9H,1H3,(H,20,22
)(H,18,19,21) |
InChIKey | QKWCLFRBLRJXQM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000742.png) | Structure Backbone | ![](./frame/f_EGIN0000742.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 |
5328207
|
Drug Bank Link | - |
ChemSpider Link | 4485372 |
ChEMBL Link | CHEMBL93461 |