General Information of the Compound
Compound ID
CP0555103
Compound Name
N-(1,3-dihydroxypropan-2-yl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
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Structure
Formula
C25H43NO5
Molecular Weight
437.621
Canonical SMILES
CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC(CO)CO)c1
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InChI
InChI=1S/C25H43NO5/c1-2-3-10-13-21-16-23(29)18-24(17-21)31-15-12-9-7-5-4-6-8-11-14-25(30)26-22(19-27)20-28/h16-18,22,27-29H,2-15,19-20H2,1H3,(H,26,30)
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InChIKey
LFPJZJBCLWKHPJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.484
Rotatable Bonds
19
Heavy Atom Count
31
Polar Areas
99.02
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 118710956
ChEMBL ID
CHEMBL3323676
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 > 10000 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 = 540 nM
   TI
   LI
   LO
   TS