| General Property |
| Molceule ID (DB) | EGIN0000409 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 52 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-8-[(dimethylamino)methyl]-7-ethoxyquinolin-6-yl}prop-2-enamide |
| Formula | C24H23ClFN5O2 |
| Mass | 467.923 |
| Exact Mass | 467.1524309 |
| Composition | C (61.6%), H (4.95%), Cl (7.58%), F (4.06%), N (14.97%), O (6.84%) |
| Atom Count | 56 |
| PI | 10.11 |
| Smiles | c12c(c(c(c(c1)NC(=O)C=C)OCC)CN(C)C)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C24H23ClFN5O2/c1-5-21(32)30-20-10-16-22(29-15-7-8-19(26)18(25)9-15)14(11-27)12-28-23(16)17(13-31(
3)4)24(20)33-6-2/h5,7-10,12H,1,6,13H2,2-4H3,(H,28,29)(H,30,32) |
| InChIKey | HZEGDBHKMCPRNP-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL117326 |
