General Information of the Compound
Compound ID
CP0377404
Compound Name
1-((2-methoxyphenyl)(phenyl)methyl)-4-phenylpiperidin-4-ol
    Show/Hide
Structure
Formula
C25H27NO2
Molecular Weight
373.496
Canonical SMILES
COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C25H27NO2/c1-28-23-15-9-8-14-22(23)24(20-10-4-2-5-11-20)26-18-16-25(27,17-19-26)21-12-6-3-7-13-21/h2-15,24,27H,16-19H2,1H3
    Show/Hide
InChIKey
DFUCPZAAMSSVDD-UHFFFAOYSA-N
Physicochemical Property
logP
4.7682
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10109899
SID: 15098548
ChEMBL ID
CHEMBL228857
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 = 975 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 = 519 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 = 28 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 = 26 nM
   TI
   LI
   LO
   TS
2
Ki = 1 nM
   TI
   LI
   LO
   TS