| General Property |
| Molceule ID (DB) | EGIN0003384 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 76 compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-3-[2-(dimethylamino)phenyl]prop-2-enamide |
| Formula | C36H32ClN5O3 |
| Mass | 618.124 |
| Exact Mass | 617.2193676 |
| Composition | C (69.95%), H (5.22%), Cl (5.74%), N (11.33%), O (7.77%) |
| Atom Count | 77 |
| PI | 8.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/c1c(N(C)C)cccc1)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C36H32ClN5O3/c1-4-44-34-20-30-28(19-31(34)41-35(43)17-14-25-12-8-9-13-32(25)42(2)3)36(26(21-38)22
-39-30)40-27-15-16-33(29(37)18-27)45-23-24-10-6-5-7-11-24/h5-20,22H,4,23H2,1-3H3,(H,39,40)(H,41,43)/
b17-14+ |
| InChIKey | QAKHEFALDLMWRF-SAPNQHFASA-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 |
11490477
|
| Drug Bank Link | - |
| ChemSpider Link | 9665288 |
| ChEMBL Link | CHEMBL359705 |
