| General Property |
| Molceule ID (DB) | EGIN0000379 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}-4-(2-methoxyethoxy)but-2-ynamide |
| Formula | C23H19BrN4O3 |
| Mass | 479.326 |
| Exact Mass | 478.0640531 |
| Composition | C (57.63%), H (4%), Br (16.67%), N (11.69%), O (10.01%) |
| Atom Count | 50 |
| PI | 8.01 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCOCCOC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C23H19BrN4O3/c1-30-10-11-31-9-3-6-22(29)27-19-7-8-21-20(13-19)23(16(14-25)15-26-21)28-18-5-2-4-17
(24)12-18/h2,4-5,7-8,12-13,15H,9-11H2,1H3,(H,26,28)(H,27,29) |
| InChIKey | QFRXIKQLGYNTBV-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 | 12502359 |
| 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 |
11005320
|
| Drug Bank Link | - |
| ChemSpider Link | 9180511 |
| ChEMBL Link | CHEMBL115440 |
