| General Property |
| Molceule ID (DB) | EGIN0003372 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7n compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(4-hydroxypiperidin-1-yl)but-2-enamide |
| Formula | C34H34ClN5O4 |
| Mass | 612.118 |
| Exact Mass | 611.2299323 |
| Composition | C (66.71%), H (5.6%), Cl (5.79%), N (11.44%), O (10.46%) |
| Atom Count | 78 |
| PI | 10.28 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1CC[C@H](CC1)O)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C34H34ClN5O4/c1-2-43-32-19-29-27(18-30(32)39-33(42)9-6-14-40-15-12-26(41)13-16-40)34(24(20-36)21-
37-29)38-25-10-11-31(28(35)17-25)44-22-23-7-4-3-5-8-23/h3-11,17-19,21,26,41H,2,12-16,22H2,1H3,(H,37,
38)(H,39,42)/b9-6+ |
| InChIKey | FRHVWTKQTWRREX-RMKNXTFCSA-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 |
11410940
|
| Drug Bank Link | - |
| ChemSpider Link | 9585833 |
| ChEMBL Link | CHEMBL362611 |
