General Information of the Compound
Compound ID
CP0078180
Compound Name
3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
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Structure
Formula
C20H19NO4
Molecular Weight
337.375
Canonical SMILES
Cc1oc(nc1COc1ccc(CCC(O)=O)cc1)-c1ccccc1
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InChI
InChI=1S/C20H19NO4/c1-14-18(21-20(25-14)16-5-3-2-4-6-16)13-24-17-10-7-15(8-11-17)9-12-19(22)23/h2-8,10-11H,9,12-13H2,1H3,(H,22,23)
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InChIKey
BVILYIQBHXIHEN-UHFFFAOYSA-N
Physicochemical Property
logP
4.24622
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
72.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 86803224
ChEMBL ID
CHEMBL3600993
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 58 nM
   TI
   LI
   LO
   TS
Protein ID: PT04096, Free fatty acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03133, Free fatty acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS