General Information of the Compound
Compound ID
CP0373358
Compound Name
(S)-2-(methoxycarbonyl(1-(3-((2-p-tolyloxazol-4-yl)methoxy)phenyl)ethyl)amino)acetic acid
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Structure
Formula
C23H24N2O6
Molecular Weight
424.453
Canonical SMILES
COC(=O)N(CC(O)=O)[C@@H](C)c1cccc(OCc2coc(n2)-c2ccc(C)cc2)c1
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InChI
InChI=1S/C23H24N2O6/c1-15-7-9-17(10-8-15)22-24-19(14-31-22)13-30-20-6-4-5-18(11-20)16(2)25(12-21(26)27)23(28)29-3/h4-11,14,16H,12-13H2,1-3H3,(H,26,27)/t16-/m0/s1
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InChIKey
UEQLFPRAVNJMSI-INIZCTEOSA-N
Physicochemical Property
logP
4.44302
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
102.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 46888994
ChEMBL ID
CHEMBL1087587
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 87 nM
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   LI
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   TS
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 20690 nM
   TI
   LI
   LO
   TS