| General Property |
| Molceule ID (DB) | EGIN0000378 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}-4-methoxybut-2-ynamide |
| Formula | C21H15BrN4O2 |
| Mass | 435.273 |
| Exact Mass | 434.0378384 |
| Composition | C (57.95%), H (3.47%), Br (18.36%), N (12.87%), O (7.35%) |
| Atom Count | 43 |
| PI | 8.01 |
| Smiles | c12c(ccc(c1)NC(=O)C#CCOC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C21H15BrN4O2/c1-28-9-3-6-20(27)25-17-7-8-19-18(11-17)21(14(12-23)13-24-19)26-16-5-2-4-15(22)10-16
/h2,4-5,7-8,10-11,13H,9H2,1H3,(H,24,26)(H,25,27) |
| InChIKey | MXBVVVDUUIDCNR-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 |
10884588
|
| Drug Bank Link | - |
| ChemSpider Link | 9059856 |
| ChEMBL Link | CHEMBL114593 |
