General Information of the Compound
Compound ID
CP0491829
Compound Name
4-(4,5-diethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
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Structure
Formula
C15H20N2O3
Molecular Weight
276.336
Canonical SMILES
CCc1nc([nH]c1CC)-c1cc(OC)c(O)c(OC)c1
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InChI
InChI=1S/C15H20N2O3/c1-5-10-11(6-2)17-15(16-10)9-7-12(19-3)14(18)13(8-9)20-4/h7-8,18H,5-6H2,1-4H3,(H,16,17)
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InChIKey
UCGDFCFWKKNASU-UHFFFAOYSA-N
Physicochemical Property
logP
2.9243
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
67.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 154667076
ChEMBL ID
CHEMBL4573101
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: PT06318, Sphingomyelin phosphodiesterase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 120 nM
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