| General Property |
| Molceule ID (DB) | EGIN0003314 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8c compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(pyrimidin-2-ylsulfanyl)phenyl]amino}-3-cyano-7-methoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C27H24ClN7O2S |
| Mass | 546.043 |
| Exact Mass | 545.1400714 |
| Composition | C (59.39%), H (4.43%), Cl (6.49%), N (17.96%), O (5.86%), S (5.87%) |
| Atom Count | 62 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(Sc2ncccn2)cc1)Cl |
| InChI | 1S/C27H24ClN7O2S/c1-35(2)11-4-6-25(36)34-22-13-19-21(14-23(22)37-3)32-16-17(15-29)26(19)33-18-7-8-24
(20(28)12-18)38-27-30-9-5-10-31-27/h4-10,12-14,16H,11H2,1-3H3,(H,32,33)(H,34,36)/b6-4+ |
| InChIKey | JUXPIUCKZXFRKA-GQCTYLIASA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 9653165 |
| ChEMBL Link | CHEMBL175933 |
