General Information of the Compound
Compound ID
CP0431948
Compound Name
1-(cyclopentyl(phenyl)methyl)-4-phenylpiperidin-4-ol
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Structure
Formula
C23H29NO
Molecular Weight
335.491
Canonical SMILES
OC1(CCN(CC1)C(C1CCCC1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H29NO/c25-23(21-13-5-2-6-14-21)15-17-24(18-16-23)22(20-11-7-8-12-20)19-9-3-1-4-10-19/h1-6,9-10,13-14,20,22,25H,7-8,11-12,15-18H2
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InChIKey
FGNMLUGWZPUAMP-UHFFFAOYSA-N
Physicochemical Property
logP
4.9015
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 44426813
ChEMBL ID
CHEMBL231608
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 = 5323 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 = 312 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 = 787 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 = 41 nM
   TI
   LI
   LO
   TS