General Information of the Compound
Compound ID
CP0445680
Compound Name
1-((2-ethylphenyl)(phenyl)methyl)-4-phenylpiperidin-4-ol
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Structure
Formula
C26H29NO
Molecular Weight
371.524
Canonical SMILES
CCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C26H29NO/c1-2-21-11-9-10-16-24(21)25(22-12-5-3-6-13-22)27-19-17-26(28,18-20-27)23-14-7-4-8-15-23/h3-16,25,28H,2,17-20H2,1H3
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InChIKey
KGIQHUIJGWLRHH-UHFFFAOYSA-N
Physicochemical Property
logP
5.322
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 44426832
ChEMBL ID
CHEMBL228848
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 = 237 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 = 535 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 = 9 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 = 0.6 nM
   TI
   LI
   LO
   TS