| General Property |
| Molceule ID (DB) | EGIN0003331 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8n compound |
| IUPAC Name | (2E)-N-{4-[(4-{[4-(benzyloxy)phenyl]methoxy}-3-chlorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C38H36ClN5O4 |
| Mass | 662.177 |
| Exact Mass | 661.2455824 |
| Composition | C (68.93%), H (5.48%), Cl (5.35%), N (10.58%), O (9.66%) |
| Atom Count | 84 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2ccc(OCc3ccccc3)cc2)cc1)Cl |
| InChI | 1S/C38H36ClN5O4/c1-4-46-36-21-33-31(20-34(36)43-37(45)11-8-18-44(2)3)38(28(22-40)23-41-33)42-29-14-1
7-35(32(39)19-29)48-25-27-12-15-30(16-13-27)47-24-26-9-6-5-7-10-26/h5-17,19-21,23H,4,18,24-25H2,1-3H
3,(H,41,42)(H,43,45)/b11-8+ |
| InChIKey | KTFFJRYMJYJAJY-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 |
11193143
|
| Drug Bank Link | - |
| ChemSpider Link | 9368217 |
| ChEMBL Link | CHEMBL362233 |
