General Information of the Compound
Compound ID
CP0962374
Compound Name
5-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)phenyl)-1H-imidazole
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Structure
Formula
C17H12ClF3N2O
Molecular Weight
352.743
Canonical SMILES
FC(F)(F)c1ccc(OCc2cccc(-c3cnc[nH]3)c2)c(Cl)c1
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InChI
InChI=1S/C17H12ClF3N2O/c18-14-7-13(17(19,20)21)4-5-16(14)24-9-11-2-1-3-12(6-11)15-8-22-10-23-15/h1-8,10H,9H2,(H,22,23)
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InChIKey
WZWMTRLKJXOEFX-UHFFFAOYSA-N
Physicochemical Property
logP
5.3279
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 155146026
ChEMBL ID
CHEMBL4850676
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: PT06353, Mas-related G-protein coupled receptor member X4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 500 nM
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