| General Property |
| Molceule ID (DB) | EGIN0003366 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7h compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-[(2-hydroxyethyl)(methyl)amino]but-2-enamide |
| Formula | C32H32ClN5O4 |
| Mass | 586.081 |
| Exact Mass | 585.2142822 |
| Composition | C (65.58%), H (5.5%), Cl (6.05%), N (11.95%), O (10.92%) |
| Atom Count | 74 |
| PI | 10.51 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(CCO)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C32H32ClN5O4/c1-3-41-30-18-27-25(17-28(30)37-31(40)10-7-13-38(2)14-15-39)32(23(19-34)20-35-27)36-
24-11-12-29(26(33)16-24)42-21-22-8-5-4-6-9-22/h4-12,16-18,20,39H,3,13-15,21H2,1-2H3,(H,35,36)(H,37,4
0)/b10-7+ |
| InChIKey | XQMZYPWMBLSXOO-JXMROGBWSA-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 |
11365297
|
| Drug Bank Link | - |
| ChemSpider Link | 9540222 |
| ChEMBL Link | CHEMBL361343 |
