| General Property |
| Molceule ID (DB) | EGIN0001777 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-[3-(morpholin-4-yl)propoxy]quinolin-6-yl}prop-2-enamide |
| Formula | C26H25ClFN5O3 |
| Mass | 509.96 |
| Exact Mass | 509.1629956 |
| Composition | C (61.24%), H (4.94%), Cl (6.95%), F (3.73%), N (13.73%), O (9.41%) |
| Atom Count | 61 |
| PI | 9.74 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)C=C)OCCCN1CCOCC1)Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C26H25ClFN5O3/c1-2-25(34)32-23-13-19-22(14-24(23)36-9-3-6-33-7-10-35-11-8-33)30-16-17(15-29)26(19
)31-18-4-5-21(28)20(27)12-18/h2,4-5,12-14,16H,1,3,6-11H2,(H,30,31)(H,32,34) |
| InChIKey | FODAAEGGNDJNFL-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 | 12270171 |
| 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 |
10006530
|
| Drug Bank Link | - |
| ChemSpider Link | 8182110 |
| ChEMBL Link | CHEMBL95774 |
