| General Property |
| Molceule ID (DB) | EGIN0003381 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8t compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(pyrrolidin-1-yl)but-2-enamide |
| Formula | C33H32ClN5O3 |
| Mass | 582.092 |
| Exact Mass | 581.2193676 |
| Composition | C (68.09%), H (5.54%), Cl (6.09%), N (12.03%), O (8.25%) |
| Atom Count | 74 |
| PI | 10.61 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1CCCC1)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C33H32ClN5O3/c1-2-41-31-19-28-26(18-29(31)38-32(40)11-8-16-39-14-6-7-15-39)33(24(20-35)21-36-28)3
7-25-12-13-30(27(34)17-25)42-22-23-9-4-3-5-10-23/h3-5,8-13,17-19,21H,2,6-7,14-16,22H2,1H3,(H,36,37)(
H,38,40)/b11-8+ |
| InChIKey | WHAIZABWYXHNPG-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 |
11444623
|
| Drug Bank Link | - |
| ChemSpider Link | 9619485 |
| ChEMBL Link | CHEMBL178312 |
