General Information of the Compound
Compound ID
CP0378922
Compound Name
4-hydroxy-5-(4-hydroxyphenyl)-3-octanoyl-1H-pyridin-2-one
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Structure
Formula
C19H23NO4
Molecular Weight
329.396
Canonical SMILES
CCCCCCCC(=O)c1c(O)c(c[nH]c1=O)-c1ccc(O)cc1
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InChI
InChI=1S/C19H23NO4/c1-2-3-4-5-6-7-16(22)17-18(23)15(12-20-19(17)24)13-8-10-14(21)11-9-13/h8-12,21H,2-7H2,1H3,(H2,20,23,24)
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InChIKey
OVONKBKXQANZTM-UHFFFAOYSA-N
Physicochemical Property
logP
3.9963
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
90.39
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 137638994
ChEMBL ID
CHEMBL4072884
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  2
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS