General Information of the Compound
| Compound ID |
CP0417756
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| Compound Name |
2-Methyl-c-5-{4-[2-(5-methyl-2-(5-methylthiophen-2-yl)oxazol-4-yl)ethoxy]benzyl}-1,3-dioxane-s-2-carboxylic acid
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| Formula |
C24H27NO6S
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| Molecular Weight |
457.548
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| Canonical SMILES |
Cc1ccc(s1)-c1nc(CCOc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1
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| InChI |
InChI=1S/C24H27NO6S/c1-15-4-9-21(32-15)22-25-20(16(2)31-22)10-11-28-19-7-5-17(6-8-19)12-18-13-29-24(3,23(26)27)30-14-18/h4-9,18H,10-14H2,1-3H3,(H,26,27)/t18-,24+
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| InChIKey |
KJZIXZXYBFJCIE-OWWJJEGGSA-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