General Information of the Compound
Compound ID
CP0375404
Compound Name
8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
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Structure
Formula
C26H25Cl2NO
Molecular Weight
438.398
Canonical SMILES
OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
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InChI
InChI=1S/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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InChIKey
FRMIDCOICRIAHB-UHFFFAOYSA-N
Physicochemical Property
logP
6.5974
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: 9932834
SID: 14905794
ChEMBL ID
CHEMBL466847
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 = 3143 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 = 109 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 = 22 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 = 3.4 nM
   TI
   LI
   LO
   TS