| General Property |
| Molceule ID (DB) | EGIN0001054 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16c compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dipropylamino)but-2-enamide |
| Formula | C24H28BrN5O |
| Mass | 482.416 |
| Exact Mass | 481.1477232 |
| Composition | C (59.75%), H (5.85%), Br (16.56%), N (14.52%), O (3.32%) |
| Atom Count | 59 |
| PI | 12.06 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(CCC)CCC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C24H28BrN5O/c1-3-12-30(13-4-2)14-6-9-23(31)28-20-10-11-22-21(16-20)24(27-17-26-22)29-19-8-5-7-18(
25)15-19/h5-11,15-17H,3-4,12-14H2,1-2H3,(H,28,31)(H,26,27,29)/b9-6+ |
| InChIKey | BLCWDFQAJUMTGJ-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 |
5328971
|
| Drug Bank Link | - |
| ChemSpider Link | 4486133 |
| ChEMBL Link | CHEMBL92731 |
