| General Property |
| Molceule ID (DB) | EGIN0003382 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8u compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(1H-imidazol-4-yl)but-2-enamide |
| Formula | C32H27ClN6O3 |
| Mass | 579.048 |
| Exact Mass | 578.1833165 |
| Composition | C (66.37%), H (4.7%), Cl (6.12%), N (14.51%), O (8.29%) |
| Atom Count | 69 |
| PI | 9.43 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/Cc1nc[nH]c1)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C32H27ClN6O3/c1-2-41-30-15-27-25(14-28(30)39-31(40)10-6-9-24-18-35-20-37-24)32(22(16-34)17-36-27)
38-23-11-12-29(26(33)13-23)42-19-21-7-4-3-5-8-21/h3-8,10-15,17-18,20H,2,9,19H2,1H3,(H,35,37)(H,36,38
)(H,39,40)/b10-6+ |
| InChIKey | QIHBCJUYVFGGLJ-UXBLZVDNSA-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 |
11410608
|
| Drug Bank Link | - |
| ChemSpider Link | 9585501 |
| ChEMBL Link | CHEMBL359630 |
