| General Property |
| Molceule ID (DB) | EGIN0000385 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}but-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 | 7.58 |
| Smiles | c12c(cc(c(c1)NC(=O)C#CC)OC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C21H15BrN4O2/c1-3-5-20(27)26-18-9-16-17(10-19(18)28-2)24-12-13(11-23)21(16)25-15-7-4-6-14(22)8-15
/h4,6-10,12H,1-2H3,(H,24,25)(H,26,27) |
| InChIKey | PLQLHGCLAWKBJG-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 |
9803006
|
| Drug Bank Link | - |
| ChemSpider Link | 7978766 |
| ChEMBL Link | CHEMBL116525 |
