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 | ![](./image/EGIN0000397.png) | Structure Backbone | ![](./frame/f_EGIN0000397.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 |
9890154
|
Drug Bank Link | - |
ChemSpider Link | 8065825 |
ChEMBL Link | CHEMBL114490 |