| General Property |
| Molceule ID (DB) | EGIN0004737 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 18 |
| IUPAC Name | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)prop-2-enamide |
| Formula | C27H22ClN5O3 |
| Mass | 499.948 |
| Exact Mass | 499.1411173 |
| Composition | C (64.86%), H (4.44%), Cl (7.09%), N (14.01%), O (9.6%) |
| Atom Count | 58 |
| PI | 8.43 |
| Smiles | c1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)OCc1ccccn1)OCC)NC(=O)C=C |
| InChI | 1S/C27H22ClN5O3/c1-3-26(34)33-23-12-20-22(13-25(23)35-4-2)31-15-17(14-29)27(20)32-18-8-9-24(21(28)11
-18)36-16-19-7-5-6-10-30-19/h3,5-13,15H,1,4,16H2,2H3,(H,31,32)(H,33,34) |
| InChIKey | QWGBPZPZQJJAMU-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 | 28530698 |
| ChEMBL Link | - |
