General Information of the Compound
Compound ID
CP0876220
Compound Name
1-(5-(naphthalen-1-yloxy)pentyl)urea
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Structure
Formula
C16H20N2O2
Molecular Weight
272.348
Canonical SMILES
NC(=O)NCCCCCOc1cccc2ccccc12
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InChI
InChI=1S/C16H20N2O2/c17-16(19)18-11-4-1-5-12-20-15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10H,1,4-5,11-12H2,(H3,17,18,19)
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InChIKey
XIJWUJXUEHLSSA-UHFFFAOYSA-N
Physicochemical Property
logP
3.0572
Rotatable Bonds
7
Heavy Atom Count
20
Polar Areas
64.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 122182974
ChEMBL ID
CHEMBL3596754
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