| General Property |
| Molceule ID (DB) | EGIN0003308 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7b compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(pyridin-4-yloxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C29H27ClN6O3 |
| Mass | 543.016 |
| Exact Mass | 542.1833165 |
| Composition | C (64.14%), H (5.01%), Cl (6.53%), N (15.48%), O (8.84%) |
| Atom Count | 66 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(Oc2ccncc2)cc1)Cl |
| InChI | 1S/C29H27ClN6O3/c1-4-38-27-16-24-22(15-25(27)35-28(37)6-5-13-36(2)3)29(19(17-31)18-33-24)34-20-7-8-2
6(23(30)14-20)39-21-9-11-32-12-10-21/h5-12,14-16,18H,4,13H2,1-3H3,(H,33,34)(H,35,37)/b6-5+ |
| InChIKey | HLVUTYRQJVXXMA-AATRIKPKSA-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 |
11168731
|
| Drug Bank Link | - |
| ChemSpider Link | 9343826 |
| ChEMBL Link | CHEMBL178265 |
