General Information of the Compound
Compound ID
CP0858813
Compound Name
(E)-7-Naphthalen-2-yl-5-oxohept-6-enoic acid(2-hydroxy-1(R)-methylethanolamide
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Structure
Formula
C20H23NO3
Molecular Weight
325.408
Canonical SMILES
C[C@@H](CO)NC(=O)CCCC(=O)/C=C/c1ccc2ccccc2c1
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InChI
InChI=1S/C20H23NO3/c1-15(14-22)21-20(24)8-4-7-19(23)12-10-16-9-11-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-13,15,22H,4,7-8,14H2,1H3,(H,21,24)/b12-10+/t15-/m0/s1
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InChIKey
MQJXJQTUPITOHG-PABFRNLHSA-N
Physicochemical Property
logP
3.0894
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 52943719
ChEMBL ID
CHEMBL1288237
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