| General Property |
| Molceule ID (DB) | EGIN0003352 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25p compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C30H29ClN6O3 |
| Mass | 557.043 |
| Exact Mass | 556.1989665 |
| Composition | C (64.68%), H (5.25%), Cl (6.36%), N (15.09%), O (8.62%) |
| Atom Count | 69 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2cnccc2)cc1)Cl |
| InChI | 1S/C30H29ClN6O3/c1-4-39-28-15-25-23(14-26(28)36-29(38)8-6-12-37(2)3)30(21(16-32)18-34-25)35-22-9-10-
27(24(31)13-22)40-19-20-7-5-11-33-17-20/h5-11,13-15,17-18H,4,12,19H2,1-3H3,(H,34,35)(H,36,38)/b8-6+ |
| InChIKey | NYRHVFBFQMTSLO-SOFGYWHQSA-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 |
11238293
|
| Drug Bank Link | - |
| ChemSpider Link | 9413336 |
| ChEMBL Link | CHEMBL179313 |
