General Information of the Compound
Compound ID
CP0383418
Compound Name
4-phenyl-1-(phenyl(4-(trifluoromethyl)phenyl)methyl)piperidin-4-ol
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Structure
Formula
C25H24F3NO
Molecular Weight
411.467
Canonical SMILES
OC1(CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F)c1ccccc1
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InChI
InChI=1S/C25H24F3NO/c26-25(27,28)22-13-11-20(12-14-22)23(19-7-3-1-4-8-19)29-17-15-24(30,16-18-29)21-9-5-2-6-10-21/h1-14,23,30H,15-18H2
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InChIKey
GTMJMDBNWVOYOR-UHFFFAOYSA-N
Physicochemical Property
logP
5.7784
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 44426831
ChEMBL ID
CHEMBL228795
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 = 10124 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 = 4294 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 = 1207 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 = 225 nM
   TI
   LI
   LO
   TS