General Information of the Compound
Compound ID
CP0443884
Compound Name
2-[2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethoxy]ethylsulfanyl]-4,5-diphenyl-1H-imidazole
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Structure
Formula
C34H30N4OS2
Molecular Weight
574.775
Canonical SMILES
C(CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)OCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C34H30N4OS2/c1-5-13-25(14-6-1)29-30(26-15-7-2-8-16-26)36-33(35-29)40-23-21-39-22-24-41-34-37-31(27-17-9-3-10-18-27)32(38-34)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,35,36)(H,37,38)
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InChIKey
UXPSEUKVJZTNDO-UHFFFAOYSA-N
Physicochemical Property
logP
8.7018
Rotatable Bonds
12
Heavy Atom Count
41
Polar Areas
66.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
41

"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: 19025800
ChEMBL ID
CHEMBL406757
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: PT03513, Sterol O-acyltransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000158 J774 Mus musculus (Mouse)  1
1
IC50 = 6550 nM
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