| General Property |
| Molceule ID (DB) | EGIN0003385 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 77 compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-3-(1-methyl-1H-imidazol-4-yl)prop-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 | 9.23 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/c1ncn(c1)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C32H27ClN6O3/c1-3-41-30-15-27-25(14-28(30)38-31(40)12-10-24-18-39(2)20-36-24)32(22(16-34)17-35-27
)37-23-9-11-29(26(33)13-23)42-19-21-7-5-4-6-8-21/h4-15,17-18,20H,3,19H2,1-2H3,(H,35,37)(H,38,40)/b12
-10+ |
| InChIKey | FAEABHLBQFONPS-ZRDIBKRKSA-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 |
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|
| Drug Bank Link | - |
| ChemSpider Link | 23244491 |
| ChEMBL Link | CHEMBL368234 |
