General Information of the Compound
Compound ID
CP0394851
Compound Name
(S)-2-(Naphthalen-2-yloxy)-3-phenyl-propionic acid
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Structure
Formula
C19H16O3
Molecular Weight
292.334
Canonical SMILES
OC(=O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1
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InChI
InChI=1S/C19H16O3/c20-19(21)18(12-14-6-2-1-3-7-14)22-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)/t18-/m0/s1
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InChIKey
GVMPFDAQXKKAHY-SFHVURJKSA-N
Physicochemical Property
logP
3.9145
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
46.53
Hydrogen Bond Donor Count
1
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: 11471872
SID: 16572455
ChEMBL ID
CHEMBL426632
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)  2
1
EC50 = 1400 nM
   TI
   LI
   LO
   TS
2
EC50 = 1412.54 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)  2
1
EC50 = 1500 nM
   TI
   LI
   LO
   TS
2
EC50 = 1513.56 nM
   TI
   LI
   LO
   TS