| General Property |
| Molceule ID (DB) | EGIN0004751 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 16 |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-3-(piperidin-1-yl)propanamide |
| Formula | C26H27ClFN5O2 |
| Mass | 495.976 |
| Exact Mass | 495.183731 |
| Composition | C (62.96%), H (5.49%), Cl (7.15%), F (3.83%), N (14.12%), O (6.45%) |
| Atom Count | 62 |
| PI | 10.69 |
| Smiles | c1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)OCC)NC(=O)CCN1CCCCC1 |
| InChI | 1S/C26H27ClFN5O2/c1-2-35-24-14-22-19(13-23(24)32-25(34)8-11-33-9-4-3-5-10-33)26(17(15-29)16-30-22)31
-18-6-7-21(28)20(27)12-18/h6-7,12-14,16H,2-5,8-11H2,1H3,(H,30,31)(H,32,34) |
| InChIKey | RPVWZZLEKBXDNP-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 28528243 |
| ChEMBL Link | - |
