| General Property |
| Molceule ID (DB) | EGIN0000396 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 38 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyanoquinolin-6-yl}-4-(morpholin-4-yl)but-2-enamide |
| Formula | C24H21ClFN5O2 |
| Mass | 465.907 |
| Exact Mass | 465.1367809 |
| Composition | C (61.87%), H (4.54%), Cl (7.61%), F (4.08%), N (15.03%), O (6.87%) |
| Atom Count | 54 |
| PI | 10.46 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/CN1CCOCC1)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C24H21ClFN5O2/c25-20-13-18(3-5-21(20)26)30-24-16(14-27)15-28-22-6-4-17(12-19(22)24)29-23(32)2-1-7
-31-8-10-33-11-9-31/h1-6,12-13,15H,7-11H2,(H,28,30)(H,29,32)/b2-1+ |
| InChIKey | USKFPOBBUSZDCR-OWOJBTEDSA-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 |
10983483
|
| Drug Bank Link | - |
| ChemSpider Link | 9158684 |
| ChEMBL Link | CHEMBL118000 |
