General Information of the Compound
Compound ID
CP0500155
Compound Name
N-hexyl-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetamide
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Structure
Formula
C23H25NO5
Molecular Weight
395.455
Canonical SMILES
CCCCCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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InChI
InChI=1S/C23H25NO5/c1-2-3-4-8-11-24-22(27)15-28-17-12-18(25)23-19(26)14-20(29-21(23)13-17)16-9-6-5-7-10-16/h5-7,9-10,12-14,25H,2-4,8,11,15H2,1H3,(H,24,27)
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InChIKey
KYOZWGGMDULRIQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2409
Rotatable Bonds
9
Heavy Atom Count
29
Polar Areas
88.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46231744
ChEMBL ID
CHEMBL611681
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8710 nM
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