General Information of the Compound
Compound ID
CP0431955
Compound Name
1-(bis(2-methoxyphenyl)methyl)-4-phenylpiperidin-4-ol
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Structure
Formula
C26H29NO3
Molecular Weight
403.522
Canonical SMILES
COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1OC
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InChI
InChI=1S/C26H29NO3/c1-29-23-14-8-6-12-21(23)25(22-13-7-9-15-24(22)30-2)27-18-16-26(28,17-19-27)20-10-4-3-5-11-20/h3-15,25,28H,16-19H2,1-2H3
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InChIKey
MEIKCNSXEAPYGM-UHFFFAOYSA-N
Physicochemical Property
logP
4.7768
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
41.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44426843
ChEMBL ID
CHEMBL228964
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 = 18160 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 = 306 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 = 843 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)  2
1
EC50 = 117 nM
   TI
   LI
   LO
   TS
2
Ki = 3 nM
   TI
   LI
   LO
   TS