General Information of the Compound
Compound ID
CP0431064
Compound Name
N-[[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-yl]methyl]cyclopentanamine
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Structure
Formula
C24H26Cl3N3
Molecular Weight
462.852
Canonical SMILES
CC(C)n1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C24H26Cl3N3/c1-15(2)30-22(14-28-19-5-3-4-6-19)29-23(20-12-11-18(26)13-21(20)27)24(30)16-7-9-17(25)10-8-16/h7-13,15,19,28H,3-6,14H2,1-2H3
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InChIKey
CCBNYIGVRSZDTG-UHFFFAOYSA-N
Physicochemical Property
logP
7.7904
Rotatable Bonds
6
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: 45268504
ChEMBL ID
CHEMBL560937
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 = 33 nM
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