General Information of the Compound
Compound ID
CP0385956
Compound Name
[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-methylphenyl)methanone
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Structure
Formula
C20H14Cl2O3
Molecular Weight
373.235
Canonical SMILES
Cc1ccc(cc1)C(=O)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C20H14Cl2O3/c1-11-2-4-12(5-3-11)20(25)14-8-17(23)19(18(24)9-14)13-6-15(21)10-16(22)7-13/h2-10,23-24H,1H3
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InChIKey
ADRQNADVLXKXGU-UHFFFAOYSA-N
Physicochemical Property
logP
5.61102
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 122186208
ChEMBL ID
CHEMBL3605035
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 9429 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
EC50 = 118 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 257.6 nM
   TI
   LI
   LO
   TS