General Property |
Molceule ID (DB) | EGIN0000408 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 51 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-8-(morpholin-4-ylmethyl)quinolin-6-yl}prop-2-enamide |
Formula | C24H21ClFN5O2 |
Mass | 465.907 |
Exact Mass | 465.1367809 |
Composition | C (61.87%), H (4.54%), Cl (7.61%), F (4.08%), N (15.03%), O (6.87%) |
Atom Count | 54 |
PI | 10.38 |
Smiles | c12c(c(cc(c1)NC(=O)C=C)CN1CCOCC1)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
InChI | 1S/C24H21ClFN5O2/c1-2-22(32)29-18-9-15(14-31-5-7-33-8-6-31)23-19(10-18)24(16(12-27)13-28-23)30-17-3-
4-21(26)20(25)11-17/h2-4,9-11,13H,1,5-8,14H2,(H,28,30)(H,29,32) |
InChIKey | KEAIVKPTYDBKQG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000408.png) | Structure Backbone | ![](./frame/f_EGIN0000408.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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL114392 |