| General Property |
| Molceule ID (DB) | EGIN0000397 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 39 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C23H21ClFN5O2 |
| Mass | 453.897 |
| Exact Mass | 453.1367809 |
| Composition | C (60.86%), H (4.66%), Cl (7.81%), F (4.19%), N (15.43%), O (7.05%) |
| Atom Count | 53 |
| PI | 10.68 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN(C)C)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C23H21ClFN5O2/c1-30(2)8-4-5-22(31)29-20-10-16-19(11-21(20)32-3)27-13-14(12-26)23(16)28-15-6-7-18(
25)17(24)9-15/h4-7,9-11,13H,8H2,1-3H3,(H,27,28)(H,29,31)/b5-4+ |
| InChIKey | OEDJWFCIVDMVRU-SNAWJCMRSA-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 | 12502359 |
| 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 |
9890154
|
| Drug Bank Link | - |
| ChemSpider Link | 8065825 |
| ChEMBL Link | CHEMBL114490 |
