General Information of the Compound
Compound ID
CP0573116
Compound Name
2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol
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Structure
Formula
C18H18N2O3
Molecular Weight
310.353
Canonical SMILES
COc1cc(cc(OC)c1O)-c1nc(c[nH]1)-c1ccc(C)cc1
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InChI
InChI=1S/C18H18N2O3/c1-11-4-6-12(7-5-11)14-10-19-18(20-14)13-8-15(22-2)17(21)16(9-13)23-3/h4-10,21H,1-3H3,(H,19,20)
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InChIKey
TYLYCXUVQQNNDI-UHFFFAOYSA-N
Physicochemical Property
logP
3.77492
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
67.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 154667090
ChEMBL ID
CHEMBL4436316
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 = 130 nM
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