General Property |
Molceule ID (DB) | EGIN0000398 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 40 compound |
IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(diethylamino)but-2-enamide |
Formula | C25H25ClFN5O2 |
Mass | 481.95 |
Exact Mass | 481.168081 |
Composition | C (62.3%), H (5.23%), Cl (7.36%), F (3.94%), N (14.53%), O (6.64%) |
Atom Count | 59 |
PI | 10.95 |
Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN(CC)CC)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
InChI | 1S/C25H25ClFN5O2/c1-4-32(5-2)10-6-7-24(33)31-22-12-18-21(13-23(22)34-3)29-15-16(14-28)25(18)30-17-8-
9-20(27)19(26)11-17/h6-9,11-13,15H,4-5,10H2,1-3H3,(H,29,30)(H,31,33)/b7-6+ |
InChIKey | BYEZGHDYNSABOZ-VOTSOKGWSA-N |
2D Structure | ![](./image/EGIN0000398.png) | Structure Backbone | ![](./frame/f_EGIN0000398.png) |
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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 |
9934935
|
Drug Bank Link | - |
ChemSpider Link | 8110563 |
ChEMBL Link | CHEMBL424252 |