General Information of the Compound
Compound ID
CP0510098
Compound Name
3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6-diol
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Structure
Formula
C21H18Cl2O2
Molecular Weight
373.279
Canonical SMILES
CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3
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InChIKey
WRPLLIGFYQLTCL-UHFFFAOYSA-N
Physicochemical Property
logP
6.3975
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
40.46
Hydrogen Bond Donor Count
2
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: 24896430
SID: 53780744
ChEMBL ID
CHEMBL525067
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 93.66 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.07 nM
   TI
   LI
   LO
   TS