| General Property |
| Molceule ID (DB) | EGIN0003313 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8b compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C31H30ClN5O3 |
| Mass | 556.055 |
| Exact Mass | 555.2037176 |
| Composition | C (66.96%), H (5.44%), Cl (6.38%), N (12.59%), O (8.63%) |
| Atom Count | 70 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C31H30ClN5O3/c1-4-39-29-17-26-24(16-27(29)36-30(38)11-8-14-37(2)3)31(22(18-33)19-34-26)35-23-12-1
3-28(25(32)15-23)40-20-21-9-6-5-7-10-21/h5-13,15-17,19H,4,14,20H2,1-3H3,(H,34,35)(H,36,38)/b11-8+ |
| InChIKey | XOYJBTWSRNRWGI-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 |
11353443
|
| Drug Bank Link | - |
| ChemSpider Link | 9528378 |
| ChEMBL Link | CHEMBL434720 |
