General Property |
Molceule ID (DB) | EGIN0001777 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-[3-(morpholin-4-yl)propoxy]quinolin-6-yl}prop-2-enamide |
Formula | C26H25ClFN5O3 |
Mass | 509.96 |
Exact Mass | 509.1629956 |
Composition | C (61.24%), H (4.94%), Cl (6.95%), F (3.73%), N (13.73%), O (9.41%) |
Atom Count | 61 |
PI | 9.74 |
Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)C=C)OCCCN1CCOCC1)Nc1cc(c(cc1)F)Cl |
InChI | 1S/C26H25ClFN5O3/c1-2-25(34)32-23-13-19-22(14-24(23)36-9-3-6-33-7-10-35-11-8-33)30-16-17(15-29)26(19
)31-18-4-5-21(28)20(27)12-18/h2,4-5,12-14,16H,1,3,6-11H2,(H,30,31)(H,32,34) |
InChIKey | FODAAEGGNDJNFL-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 12270171 |
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 |
10006530
|
Drug Bank Link | - |
ChemSpider Link | 8182110 |
ChEMBL Link | CHEMBL95774 |