| General Property |
| Molceule ID (DB) | EGIN0003378 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7t compound |
| IUPAC Name | (2E)-4-(azetidin-1-yl)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)but-2-enamide |
| Formula | C32H30ClN5O3 |
| Mass | 568.065 |
| Exact Mass | 567.2037176 |
| Composition | C (67.66%), H (5.32%), Cl (6.24%), N (12.33%), O (8.45%) |
| Atom Count | 71 |
| PI | 10.15 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1CCC1)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C32H30ClN5O3/c1-2-40-30-18-27-25(17-28(30)37-31(39)10-6-13-38-14-7-15-38)32(23(19-34)20-35-27)36-
24-11-12-29(26(33)16-24)41-21-22-8-4-3-5-9-22/h3-6,8-12,16-18,20H,2,7,13-15,21H2,1H3,(H,35,36)(H,37,
39)/b10-6+ |
| InChIKey | QWYNDGPXFFALKC-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 |
11307602
|
| Drug Bank Link | - |
| ChemSpider Link | 9482577 |
| ChEMBL Link | CHEMBL368702 |
