| General Property |
| Molceule ID (DB) | EGIN0001063 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16t compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(1H-pyrazol-1-yl)but-2-enamide |
| Formula | C21H17BrN6O |
| Mass | 449.303 |
| Exact Mass | 448.0647218 |
| Composition | C (56.14%), H (3.81%), Br (17.78%), N (18.7%), O (3.56%) |
| Atom Count | 46 |
| PI | 9.14 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/Cn1nccc1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C21H17BrN6O/c22-15-4-1-5-16(12-15)27-21-18-13-17(7-8-19(18)23-14-24-21)26-20(29)6-2-10-28-11-3-9-
25-28/h1-9,11-14H,10H2,(H,26,29)(H,23,24,27)/b6-2+ |
| InChIKey | UOQUXSNSYHWJQN-QHHAFSJGSA-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 |
| 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 |
5328980
|
| Drug Bank Link | - |
| ChemSpider Link | 4486142 |
| ChEMBL Link | CHEMBL93754 |
