General Information of the Compound
Compound ID
CP0434411
Compound Name
1-(2-methoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
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Structure
Formula
C20H25NO2
Molecular Weight
311.425
Canonical SMILES
COCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C20H25NO2/c1-23-16-19(17-8-4-2-5-9-17)21-14-12-20(22,13-15-21)18-10-6-3-7-11-18/h2-11,19,22H,12-16H2,1H3
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InChIKey
QGTSAVPZRGXSBO-UHFFFAOYSA-N
Physicochemical Property
logP
3.3577
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 44426816
ChEMBL ID
CHEMBL228686
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 = 32960 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 = 1771 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 = 780 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 = 295 nM
   TI
   LI
   LO
   TS