| General Property |
| Molceule ID (DB) | EGIN0001052 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16a compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C20H20BrN5O |
| Mass | 426.31 |
| Exact Mass | 425.0851229 |
| Composition | C (56.35%), H (4.73%), Br (18.74%), N (16.43%), O (3.75%) |
| Atom Count | 47 |
| PI | 11.57 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(C)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-
9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+ |
| InChIKey | ZCIXBBSRVLSRJQ-QPJJXVBHSA-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 | 11495584 | 15093817 | 16078851 | 18316192 | |
| 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 |
5328969
|
| Drug Bank Link | - |
| ChemSpider Link | 4486131 |
| ChEMBL Link | CHEMBL94061 |
