| General Property |
| Molceule ID (DB) | EGIN0003318 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 21a compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C29H30ClN7O3 |
| Mass | 560.047 |
| Exact Mass | 559.2098656 |
| Composition | C (62.19%), H (5.4%), Cl (6.33%), N (17.51%), O (8.57%) |
| Atom Count | 70 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2n(ccn2)C)cc1)Cl |
| InChI | 1S/C29H30ClN7O3/c1-5-39-26-15-23-21(14-24(26)35-28(38)7-6-11-36(2)3)29(19(16-31)17-33-23)34-20-8-9-2
5(22(30)13-20)40-18-27-32-10-12-37(27)4/h6-10,12-15,17H,5,11,18H2,1-4H3,(H,33,34)(H,35,38)/b7-6+ |
| InChIKey | OZHWQXHMFVYGIW-VOTSOKGWSA-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 |
11180494
|
| Drug Bank Link | - |
| ChemSpider Link | 9355584 |
| ChEMBL Link | CHEMBL175840 |
