General Information of the Compound
Compound ID
CP0858816
Compound Name
(E)-7-Naphthalen-2-yl-5-oxohept-6-enoic piperidinamide
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Structure
Formula
C22H25NO2
Molecular Weight
335.447
Canonical SMILES
O=C(/C=C/c1ccc2ccccc2c1)CCCC(=O)N1CCCCC1
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InChI
InChI=1S/C22H25NO2/c24-21(9-6-10-22(25)23-15-4-1-5-16-23)14-12-18-11-13-19-7-2-3-8-20(19)17-18/h2-3,7-8,11-14,17H,1,4-6,9-10,15-16H2/b14-12+
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InChIKey
ITECAINUXYCJRB-WYMLVPIESA-N
Physicochemical Property
logP
4.6049
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 52947376
ChEMBL ID
CHEMBL1288181
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