General Information of the Compound
Compound ID
CP0560793
Compound Name
2-(3,5-dimethoxyphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
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Structure
Formula
C21H18N2O2S
Molecular Weight
362.454
Canonical SMILES
COc1cc(OC)cc(c1)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1
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InChI
InChI=1S/C21H18N2O2S/c1-24-16-11-15(12-17(13-16)25-2)21-22-19(14-7-4-3-5-8-14)20(23-21)18-9-6-10-26-18/h3-13H,1-2H3,(H,22,23)
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InChIKey
UVZBTYVOYQACON-UHFFFAOYSA-N
Physicochemical Property
logP
5.4894
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
47.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 1929447
ChEMBL ID
CHEMBL4454235
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 > 100000 nM
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   LI
   LO
   TS