| General Property |
| Molceule ID (DB) | EGIN0000408 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 51 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-8-(morpholin-4-ylmethyl)quinolin-6-yl}prop-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 | 10.38 |
| Smiles | c12c(c(cc(c1)NC(=O)C=C)CN1CCOCC1)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C24H21ClFN5O2/c1-2-22(32)29-18-9-15(14-31-5-7-33-8-6-31)23-19(10-18)24(16(12-27)13-28-23)30-17-3-
4-21(26)20(25)11-17/h2-4,9-11,13H,1,5-8,14H2,(H,28,30)(H,29,32) |
| InChIKey | KEAIVKPTYDBKQG-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL114392 |
