General Property |
Molceule ID (DB) | EGIN0001273 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-N-icosylacetamide |
Formula | C37H53NO5 |
Mass | 591.8204 |
Exact Mass | 591.3923738 |
Composition | C (75.09%), H (9.03%), N (2.37%), O (13.52%) |
Atom Count | 96 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)NCCCCCCCCCCCCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C37H53NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-38-36(41)29-42-31-26-32(39)37-33(40
)28-34(43-35(37)27-31)30-23-20-19-21-24-30/h19-21,23-24,26-28,39H,2-18,22,25,29H2,1H3,(H,38,41) |
InChIKey | LPSOBVBDBKUHSS-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 | 20056425 |
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 |
46231885
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Drug Bank Link | - |
ChemSpider Link | 24645270 |
ChEMBL Link | CHEMBL592153 |