| General Property |
| Molceule ID (DB) | EGIN0003326 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8i compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-methoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C30H28ClN5O3 |
| Mass | 542.028 |
| Exact Mass | 541.1880675 |
| Composition | C (66.48%), H (5.21%), Cl (6.54%), N (12.92%), O (8.86%) |
| Atom Count | 67 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C30H28ClN5O3/c1-36(2)13-7-10-29(37)35-26-15-23-25(16-28(26)38-3)33-18-21(17-32)30(23)34-22-11-12-
27(24(31)14-22)39-19-20-8-5-4-6-9-20/h4-12,14-16,18H,13,19H2,1-3H3,(H,33,34)(H,35,37)/b10-7+ |
| InChIKey | AILSWWUTQDGMFN-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 |
11180271
|
| Drug Bank Link | - |
| ChemSpider Link | 9355361 |
| ChEMBL Link | CHEMBL179726 |
