| General Property |
| Molceule ID (DB) | EGIN0003373 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7o compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(4,4-dihydroxypiperidin-1-yl)but-2-enamide |
| Formula | C34H34ClN5O5 |
| Mass | 628.117 |
| Exact Mass | 627.2248469 |
| Composition | C (65.01%), H (5.46%), Cl (5.64%), N (11.15%), O (12.74%) |
| Atom Count | 79 |
| PI | 9.6 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1CCC(CC1)(O)O)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C34H34ClN5O5/c1-2-44-31-19-28-26(18-29(31)39-32(41)9-6-14-40-15-12-34(42,43)13-16-40)33(24(20-36)
21-37-28)38-25-10-11-30(27(35)17-25)45-22-23-7-4-3-5-8-23/h3-11,17-19,21,42-43H,2,12-16,22H2,1H3,(H,
37,38)(H,39,41)/b9-6+ |
| InChIKey | CBNJCHVHBCJGBE-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 |
11285080
|
| Drug Bank Link | - |
| ChemSpider Link | 9460073 |
| ChEMBL Link | CHEMBL362824 |
