| General Property |
| Molceule ID (DB) | EGIN0003377 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7s compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(4-methylpiperazin-1-yl)but-2-enamide |
| Formula | C34H35ClN6O3 |
| Mass | 611.133 |
| Exact Mass | 610.2459167 |
| Composition | C (66.82%), H (5.77%), Cl (5.8%), N (13.75%), O (7.85%) |
| Atom Count | 79 |
| PI | 10.44 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1CCN(CC1)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C34H35ClN6O3/c1-3-43-32-20-29-27(19-30(32)39-33(42)10-7-13-41-16-14-40(2)15-17-41)34(25(21-36)22-
37-29)38-26-11-12-31(28(35)18-26)44-23-24-8-5-4-6-9-24/h4-12,18-20,22H,3,13-17,23H2,1-2H3,(H,37,38)(
H,39,42)/b10-7+ |
| InChIKey | BMAOWXTVCYAPFY-JXMROGBWSA-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 |
11238864
|
| Drug Bank Link | - |
| ChemSpider Link | 9413907 |
| ChEMBL Link | CHEMBL360933 |
