General Information of the Compound
Compound ID
CP0394141
Compound Name
4-phenyl-1-(phenyl(pyridin-3-yl)methyl)piperidin-4-ol
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Structure
Formula
C23H24N2O
Molecular Weight
344.458
Canonical SMILES
OC1(CCN(CC1)C(c1ccccc1)c1cccnc1)c1ccccc1
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InChI
InChI=1S/C23H24N2O/c26-23(21-11-5-2-6-12-21)13-16-25(17-14-23)22(19-8-3-1-4-9-19)20-10-7-15-24-18-20/h1-12,15,18,22,26H,13-14,16-17H2
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InChIKey
MEUYOYHIZBZUGT-UHFFFAOYSA-N
Physicochemical Property
logP
4.1546
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
36.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44426823
ChEMBL ID
CHEMBL374603
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: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 10920 nM
   TI
   LI
   LO
   TS
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2993 nM
   TI
   LI
   LO
   TS
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 819 nM
   TI
   LI
   LO
   TS
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
Ki = 323 nM
   TI
   LI
   LO
   TS