| General Property |
| Molceule ID (DB) | EGIN0004771 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 14 |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}prop-2-enamide |
| Formula | C21H16ClFN4O2 |
| Mass | 410.829 |
| Exact Mass | 410.0945817 |
| Composition | C (61.39%), H (3.93%), Cl (8.63%), F (4.62%), N (13.64%), O (7.79%) |
| Atom Count | 45 |
| PI | 8.37 |
| Smiles | c1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)OCC)NC(=O)C=C |
| InChI | 1S/C21H16ClFN4O2/c1-3-20(28)27-18-8-14-17(9-19(18)29-4-2)25-11-12(10-24)21(14)26-13-5-6-16(23)15(22)
7-13/h3,5-9,11H,1,4H2,2H3,(H,25,26)(H,27,28) |
| InChIKey | ATIKKYRDCUPFAU-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 | 22280453 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 28511387 |
| ChEMBL Link | - |
