| General Property |
| Molceule ID (DB) | EGIN0003338 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25b compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C31H31N5O3 |
| Mass | 521.6095 |
| Exact Mass | 521.2426899 |
| Composition | C (71.38%), H (5.99%), N (13.43%), O (9.2%) |
| Atom Count | 70 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1ccc(OCc2ccccc2)cc1 |
| InChI | 1S/C31H31N5O3/c1-4-38-29-18-27-26(17-28(29)35-30(37)11-8-16-36(2)3)31(23(19-32)20-33-27)34-24-12-14-
25(15-13-24)39-21-22-9-6-5-7-10-22/h5-15,17-18,20H,4,16,21H2,1-3H3,(H,33,34)(H,35,37)/b11-8+ |
| InChIKey | LCDBKVBITYDADF-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 |
11168387
|
| Drug Bank Link | - |
| ChemSpider Link | 9343482 |
| ChEMBL Link | CHEMBL369299 |
