General Information of the Compound
Compound ID
CP0566882
Compound Name
11-(3-hydroxy-5-pentylphenoxy)-N',N'-dimethylundecanehydrazide
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Structure
Formula
C24H42N2O3
Molecular Weight
406.611
Canonical SMILES
CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NN(C)C)c1
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InChI
InChI=1S/C24H42N2O3/c1-4-5-12-15-21-18-22(27)20-23(19-21)29-17-14-11-9-7-6-8-10-13-16-24(28)25-26(2)3/h18-20,27H,4-17H2,1-3H3,(H,25,28)
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InChIKey
DOUCVXLMZKRXNQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.6074
Rotatable Bonds
17
Heavy Atom Count
29
Polar Areas
61.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 118710970
ChEMBL ID
CHEMBL3323692
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 = 845.5 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 = 182.6 nM
   TI
   LI
   LO
   TS