| General Property |
| Molceule ID (DB) | EGIN0004042 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9b compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-7-(4-methylpiperazin-1-yl)quinazolin-6-yl}prop-2-enamide |
| Formula | C22H23BrN6O |
| Mass | 467.362 |
| Exact Mass | 466.111672 |
| Composition | C (56.54%), H (4.96%), Br (17.1%), N (17.98%), O (3.42%) |
| Atom Count | 53 |
| PI | 10.53 |
| Smiles | c12c(ncnc2cc(c(c1)NC(=O)C=C)N1CCN(CC1)C)Nc1cc(Br)ccc1 |
| InChI | 1S/C22H23BrN6O/c1-3-21(30)27-19-12-17-18(13-20(19)29-9-7-28(2)8-10-29)24-14-25-22(17)26-16-6-4-5-15(
23)11-16/h3-6,11-14H,1,7-10H2,2H3,(H,27,30)(H,24,25,26) |
| InChIKey | DYEVORTZJPUZJF-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 | 16078851 |
| 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 |
11340298
|
| Drug Bank Link | - |
| ChemSpider Link | 9515241 |
| ChEMBL Link | CHEMBL365805 |
