| General Property |
| Molceule ID (DB) | EGIN0003365 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7g compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-[(2-methoxyethyl)(methyl)amino]but-2-enamide |
| Formula | C33H34ClN5O4 |
| Mass | 600.107 |
| Exact Mass | 599.2299323 |
| Composition | C (66.05%), H (5.71%), Cl (5.91%), N (11.67%), O (10.66%) |
| Atom Count | 77 |
| PI | 10.46 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(CCOC)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C33H34ClN5O4/c1-4-42-31-19-28-26(18-29(31)38-32(40)11-8-14-39(2)15-16-41-3)33(24(20-35)21-36-28)3
7-25-12-13-30(27(34)17-25)43-22-23-9-6-5-7-10-23/h5-13,17-19,21H,4,14-16,22H2,1-3H3,(H,36,37)(H,38,4
0)/b11-8+ |
| InChIKey | LPYSKYXLEUHMAA-DHZHZOJOSA-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 |
11478925
|
| Drug Bank Link | - |
| ChemSpider Link | 9653750 |
| ChEMBL Link | CHEMBL178144 |
