| General Property |
| Molceule ID (DB) | EGIN0003374 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7p compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]but-2-enamide |
| Formula | C36H38ClN5O3 |
| Mass | 624.172 |
| Exact Mass | 623.2663178 |
| Composition | C (69.27%), H (6.14%), Cl (5.68%), N (11.22%), O (7.69%) |
| Atom Count | 83 |
| PI | 10.84 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1[C@H](CCC[C@H]1C)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C36H38ClN5O3/c1-4-44-34-20-31-29(19-32(34)41-35(43)14-9-17-42-24(2)10-8-11-25(42)3)36(27(21-38)22
-39-31)40-28-15-16-33(30(37)18-28)45-23-26-12-6-5-7-13-26/h5-7,9,12-16,18-20,22,24-25H,4,8,10-11,17,
23H2,1-3H3,(H,39,40)(H,41,43)/b14-9+/t24-,25+ |
| InChIKey | YDUHWIGPWFJEMF-VPGRUKGMSA-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 |
11365597
|
| Drug Bank Link | - |
| ChemSpider Link | 9540522 |
| ChEMBL Link | CHEMBL153763 |
