General Information of the Compound
Compound ID
CP0502180
Compound Name
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-pentan-3-ylimidazol-2-yl]methyl]cyclopentanamine
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Structure
Formula
C26H30Cl3N3
Molecular Weight
490.906
Canonical SMILES
CCC(CC)n1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C26H30Cl3N3/c1-3-21(4-2)32-24(16-30-20-7-5-6-8-20)31-25(22-14-13-19(28)15-23(22)29)26(32)17-9-11-18(27)12-10-17/h9-15,20-21,30H,3-8,16H2,1-2H3
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InChIKey
NDWHYFJYVYBEIV-UHFFFAOYSA-N
Physicochemical Property
logP
8.5706
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
29.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 45269372
ChEMBL ID
CHEMBL564484
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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