| General Property |
| Molceule ID (DB) | EGIN0003339 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25c compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(2-phenylethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C32H32ClN5O3 |
| Mass | 570.081 |
| Exact Mass | 569.2193676 |
| Composition | C (67.42%), H (5.66%), Cl (6.22%), N (12.28%), O (8.42%) |
| Atom Count | 73 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(cc1)OCCc1ccccc1)Cl |
| InChI | 1S/C32H32ClN5O3/c1-4-40-30-19-27-25(18-28(30)37-31(39)11-8-15-38(2)3)32(23(20-34)21-35-27)36-24-12-1
3-29(26(33)17-24)41-16-14-22-9-6-5-7-10-22/h5-13,17-19,21H,4,14-16H2,1-3H3,(H,35,36)(H,37,39)/b11-8+ |
| InChIKey | GLSOBAXGEXVXAA-DHZHZOJOSA-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 | 15715478 |
| 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 |
11342107
|
| Drug Bank Link | - |
| ChemSpider Link | 9517049 |
| ChEMBL Link | CHEMBL178199 |
