| General Property |
| Molceule ID (DB) | EGIN0004744 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 17 |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-3-(morpholin-4-yl)propanamide |
| Formula | C25H25ClFN5O3 |
| Mass | 497.949 |
| Exact Mass | 497.1629956 |
| Composition | C (60.3%), H (5.06%), Cl (7.12%), F (3.82%), N (14.06%), O (9.64%) |
| Atom Count | 60 |
| PI | 9.59 |
| Smiles | c1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)OCC)NC(=O)CCN1CCOCC1 |
| InChI | 1S/C25H25ClFN5O3/c1-2-35-23-13-21-18(12-22(23)31-24(33)5-6-32-7-9-34-10-8-32)25(16(14-28)15-29-21)30
-17-3-4-20(27)19(26)11-17/h3-4,11-13,15H,2,5-10H2,1H3,(H,29,30)(H,31,33) |
| InChIKey | ABNJTLJOBGFVGE-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 | 28511389 |
| ChEMBL Link | - |
