| General Property |
| Molceule ID (DB) | EGIN0003341 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25e compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-cyanophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C32H30N6O3 |
| Mass | 546.619 |
| Exact Mass | 546.2379389 |
| Composition | C (70.31%), H (5.53%), N (15.37%), O (8.78%) |
| Atom Count | 71 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(C#N)c(OCc2ccccc2)cc1 |
| InChI | 1S/C32H30N6O3/c1-4-40-30-17-27-26(16-28(30)37-31(39)11-8-14-38(2)3)32(24(19-34)20-35-27)36-25-12-13-
29(23(15-25)18-33)41-21-22-9-6-5-7-10-22/h5-13,15-17,20H,4,14,21H2,1-3H3,(H,35,36)(H,37,39)/b11-8+ |
| InChIKey | GFRRUJXUMZJUGB-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 |
11157041
|
| Drug Bank Link | - |
| ChemSpider Link | 9332149 |
| ChEMBL Link | CHEMBL440935 |
