General Information of the Compound
Compound ID
CP0545601
Compound Name
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-fluoroethyl)imidazol-2-yl]methyl]cyclopentanamine
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Structure
Formula
C23H23Cl3FN3
Molecular Weight
466.815
Canonical SMILES
FCCn1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C23H23Cl3FN3/c24-16-7-5-15(6-8-16)23-22(19-10-9-17(25)13-20(19)26)29-21(30(23)12-11-27)14-28-18-3-1-2-4-18/h5-10,13,18,28H,1-4,11-12,14H2
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InChIKey
UCJJNWLERDLDDF-UHFFFAOYSA-N
Physicochemical Property
logP
7.179
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
29.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 45271902
ChEMBL ID
CHEMBL554058
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: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 160 nM
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