General Information of the Compound
| Compound ID |
CP0376903
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| Compound Name |
(2S)-2-ethoxy-3-[4-[[5-methyl-2-(5-phenylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C26H25NO5S
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| Molecular Weight |
463.555
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| Canonical SMILES |
CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2ccc(s2)-c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C26H25NO5S/c1-3-30-22(26(28)29)15-18-9-11-20(12-10-18)31-16-21-17(2)32-25(27-21)24-14-13-23(33-24)19-7-5-4-6-8-19/h4-14,22H,3,15-16H2,1-2H3,(H,28,29)/t22-/m0/s1
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| InChIKey |
LNIOFPVZPXQLEB-QFIPXVFZSA-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