General Information of the Compound
Compound ID
CP0846990
Compound Name
1-ethyl-3-(5-(naphthalen-2-yloxy)pentyl)urea
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Structure
Formula
C18H24N2O2
Molecular Weight
300.402
Canonical SMILES
CCNC(=O)NCCCCCOc1ccc2ccccc2c1
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InChI
InChI=1S/C18H24N2O2/c1-2-19-18(21)20-12-6-3-7-13-22-17-11-10-15-8-4-5-9-16(15)14-17/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H2,19,20,21)
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InChIKey
FDWNYBZVBFOYJL-UHFFFAOYSA-N
Physicochemical Property
logP
3.708
Rotatable Bonds
8
Heavy Atom Count
22
Polar Areas
50.36
Hydrogen Bond Donor Count
2
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: 122182971
ChEMBL ID
CHEMBL3596752
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