| General Property |
| Molceule ID (DB) | EGIN0003330 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8m compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(2-methoxyphenyl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C32H32ClN5O4 |
| Mass | 586.081 |
| Exact Mass | 585.2142822 |
| Composition | C (65.58%), H (5.5%), Cl (6.05%), N (11.95%), O (10.92%) |
| Atom Count | 74 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2c(OC)cccc2)cc1)Cl |
| InChI | 1S/C32H32ClN5O4/c1-5-41-30-17-26-24(16-27(30)37-31(39)11-8-14-38(2)3)32(22(18-34)19-35-26)36-23-12-1
3-29(25(33)15-23)42-20-21-9-6-7-10-28(21)40-4/h6-13,15-17,19H,5,14,20H2,1-4H3,(H,35,36)(H,37,39)/b11
-8+ |
| InChIKey | YBXSDKSXXVAXIS-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 |
11342284
|
| Drug Bank Link | - |
| ChemSpider Link | 9517226 |
| ChEMBL Link | CHEMBL362232 |
