| General Property |
| Molceule ID (DB) | EGIN0001053 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16b compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(diethylamino)but-2-enamide |
| Formula | C22H24BrN5O |
| Mass | 454.363 |
| Exact Mass | 453.1164231 |
| Composition | C (58.16%), H (5.32%), Br (17.59%), N (15.41%), O (3.52%) |
| Atom Count | 53 |
| PI | 11.84 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(CC)CC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C22H24BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-
17/h5-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)/b9-6+ |
| InChIKey | PJDCIIPPRINIGB-RMKNXTFCSA-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 |
5328970
|
| Drug Bank Link | - |
| ChemSpider Link | 4486132 |
| ChEMBL Link | CHEMBL91925 |
