| General Property |
| Molceule ID (DB) | EGIN0003311 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7e compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(1H-imidazol-1-ylmethyl)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C28H28ClN7O2 |
| Mass | 530.021 |
| Exact Mass | 529.1993009 |
| Composition | C (63.45%), H (5.32%), Cl (6.69%), N (18.5%), O (6.04%) |
| Atom Count | 66 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(Cn2cncc2)cc1)Cl |
| InChI | 1S/C28H28ClN7O2/c1-4-38-26-14-24-22(13-25(26)34-27(37)6-5-10-35(2)3)28(20(15-30)16-32-24)33-21-8-7-1
9(23(29)12-21)17-36-11-9-31-18-36/h5-9,11-14,16,18H,4,10,17H2,1-3H3,(H,32,33)(H,34,37)/b6-5+ |
| InChIKey | QDRWCBFRDFJYSO-AATRIKPKSA-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 |
11398437
|
| Drug Bank Link | - |
| ChemSpider Link | 9573337 |
| ChEMBL Link | CHEMBL179074 |
