General Information of the Compound
Compound ID
CP0526059
Compound Name
3-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
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Structure
Formula
C19H14N2OS
Molecular Weight
318.401
Canonical SMILES
Oc1cccc(c1)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1
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InChI
InChI=1S/C19H14N2OS/c22-15-9-4-8-14(12-15)19-20-17(13-6-2-1-3-7-13)18(21-19)16-10-5-11-23-16/h1-12,22H,(H,20,21)
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InChIKey
BUKWBSSEHYXHML-UHFFFAOYSA-N
Physicochemical Property
logP
5.1778
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 828878
ChEMBL ID
CHEMBL4472289
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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