| General Property |
| Molceule ID (DB) | EGIN0003371 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7m compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(piperidin-1-yl)but-2-enamide |
| Formula | C34H34ClN5O3 |
| Mass | 596.118 |
| Exact Mass | 595.2350177 |
| Composition | C (68.5%), H (5.75%), Cl (5.95%), N (11.75%), O (8.05%) |
| Atom Count | 77 |
| PI | 10.55 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1CCCCC1)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C34H34ClN5O3/c1-2-42-32-20-29-27(19-30(32)39-33(41)12-9-17-40-15-7-4-8-16-40)34(25(21-36)22-37-29
)38-26-13-14-31(28(35)18-26)43-23-24-10-5-3-6-11-24/h3,5-6,9-14,18-20,22H,2,4,7-8,15-17,23H2,1H3,(H,
37,38)(H,39,41)/b12-9+ |
| InChIKey | CFFCHXQRKUPYPT-FMIVXFBMSA-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 |
11180905
|
| Drug Bank Link | - |
| ChemSpider Link | 9355994 |
| ChEMBL Link | CHEMBL360958 |
