| General Property |
| Molceule ID (DB) | EGIN0003356 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25t compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C35H32ClN5O3 |
| Mass | 606.113 |
| Exact Mass | 605.2193676 |
| Composition | C (69.36%), H (5.32%), Cl (5.85%), N (11.55%), O (7.92%) |
| Atom Count | 76 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2c3c(ccc2)cccc3)cc1)Cl |
| InChI | 1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)13-8-16-41(2)3)35(25(20-37)21-38-30)39-26-14-1
5-32(29(36)17-26)44-22-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,21H,4,16,22H2,1-3H3,(H,38,39)(H,4
0,42)/b13-8+ |
| InChIKey | HLWNQNFLDPUOHI-MDWZMJQESA-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 |
11399289
|
| Drug Bank Link | - |
| ChemSpider Link | 9574189 |
| ChEMBL Link | CHEMBL359629 |
