General Information of the Compound
Compound ID
CP0536357
Compound Name
2,6-dimethoxy-4-(5-phenyl-1H-imidazol-2-yl)phenol
    Show/Hide
Structure
Formula
C17H16N2O3
Molecular Weight
296.326
Canonical SMILES
COc1cc(cc(OC)c1O)-c1ncc([nH]1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C17H16N2O3/c1-21-14-8-12(9-15(22-2)16(14)20)17-18-10-13(19-17)11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H,18,19)
    Show/Hide
InChIKey
DDGYPTYXGOWATI-UHFFFAOYSA-N
Physicochemical Property
logP
3.4665
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
67.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 154667086
ChEMBL ID
CHEMBL4577390
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 = 70 nM
   TI
   LI
   LO
   TS