General Information of the Compound
| Compound ID |
CP0451513
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| Compound Name |
2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-2-phenoxy-hexanoic acid
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| Structure |
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| Formula |
C31H33NO5
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| Molecular Weight |
499.607
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| Canonical SMILES |
CCCCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C31H33NO5/c1-3-4-20-31(30(33)34,37-27-13-9-6-10-14-27)22-24-15-17-26(18-16-24)35-21-19-28-23(2)36-29(32-28)25-11-7-5-8-12-25/h5-18H,3-4,19-22H2,1-2H3,(H,33,34)
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| InChIKey |
REGUENFVHBQQHK-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma