General Information of the Compound
Compound ID
CP0876218
Compound Name
N-cyclopropyl-6-(naphthalen-1-yloxy)hexanamide
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Structure
Formula
C19H23NO2
Molecular Weight
297.398
Canonical SMILES
O=C(CCCCCOc1cccc2ccccc12)NC1CC1
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InChI
InChI=1S/C19H23NO2/c21-19(20-16-12-13-16)11-2-1-5-14-22-18-10-6-8-15-7-3-4-9-17(15)18/h3-4,6-10,16H,1-2,5,11-14H2,(H,20,21)
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InChIKey
SGGSZTHEFQRUQY-UHFFFAOYSA-N
Physicochemical Property
logP
4.0576
Rotatable Bonds
8
Heavy Atom Count
22
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 122182968
ChEMBL ID
CHEMBL3596749
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)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
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)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS