General Information of the Compound
Compound ID
CP0526057
Compound Name
2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol
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Structure
Formula
C12H14N2O3
Molecular Weight
234.255
Canonical SMILES
COc1cc(cc(OC)c1O)-c1ncc(C)[nH]1
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InChI
InChI=1S/C12H14N2O3/c1-7-6-13-12(14-7)8-4-9(16-2)11(15)10(5-8)17-3/h4-6,15H,1-3H3,(H,13,14)
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InChIKey
HQPQNQPNXAPQMU-UHFFFAOYSA-N
Physicochemical Property
logP
2.10792
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
67.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 154667095
ChEMBL ID
CHEMBL4441694
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 = 220 nM
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