General Information of the Compound
Compound ID
CP0506344
Compound Name
N-[[5-(4-chlorophenyl)-1-cyclobutyl-4-(2,4-dichlorophenyl)imidazol-2-yl]methyl]cyclopentanamine
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Structure
Formula
C25H26Cl3N3
Molecular Weight
474.863
Canonical SMILES
Clc1ccc(cc1)-c1c(nc(CNC2CCCC2)n1C1CCC1)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C25H26Cl3N3/c26-17-10-8-16(9-11-17)25-24(21-13-12-18(27)14-22(21)28)30-23(31(25)20-6-3-7-20)15-29-19-4-1-2-5-19/h8-14,19-20,29H,1-7,15H2
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InChIKey
IXVGMZBRGGKQBF-UHFFFAOYSA-N
Physicochemical Property
logP
7.9345
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
29.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 45270196
ChEMBL ID
CHEMBL552011
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 = 530 nM
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