| General Property |
| Molceule ID (DB) | EGIN0000395 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 37 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyanoquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C22H19ClFN5O |
| Mass | 423.871 |
| Exact Mass | 423.1262162 |
| Composition | C (62.34%), H (4.52%), Cl (8.36%), F (4.48%), N (16.52%), O (3.77%) |
| Atom Count | 49 |
| PI | 11.66 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(C)C)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C22H19ClFN5O/c1-29(2)9-3-4-21(30)27-15-6-8-20-17(10-15)22(14(12-25)13-26-20)28-16-5-7-19(24)18(23
)11-16/h3-8,10-11,13H,9H2,1-2H3,(H,26,28)(H,27,30)/b4-3+ |
| InChIKey | KXQYGHZAGFHMDJ-ONEGZZNKSA-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 |
9954075
|
| Drug Bank Link | - |
| ChemSpider Link | 8129685 |
| ChEMBL Link | CHEMBL323630 |
