General Information of the Compound
Compound ID
CP0485433
Compound Name
(R)-2-(Naphthalen-2-yloxy)-pentanoic acid
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Structure
Formula
C15H16O3
Molecular Weight
244.29
Canonical SMILES
CCC[C@@H](Oc1ccc2ccccc2c1)C(O)=O
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InChI
InChI=1S/C15H16O3/c1-2-5-14(15(16)17)18-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5H2,1H3,(H,16,17)/t14-/m1/s1
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InChIKey
OMXNKDLNBLDNDT-CQSZACIVSA-N
Physicochemical Property
logP
3.4719
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 11356973
SID: 16449111
ChEMBL ID
CHEMBL364254
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: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 3900 nM
   TI
   LI
   LO
   TS
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 12500 nM
   TI
   LI
   LO
   TS