General Information of the Compound
| Compound ID |
CP0495938
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| Compound Name |
2-Methyl-c-5-{4-[5-methyl-2-(5-methylthiophen-2-yl)oxazol-4-ylmethoxy]benzyl}-1,3-dioxane-s-2-carboxylic acid
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| Formula |
C23H25NO6S
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| Molecular Weight |
443.521
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| Canonical SMILES |
Cc1ccc(s1)-c1nc(COc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1
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| InChI |
InChI=1S/C23H25NO6S/c1-14-4-9-20(31-14)21-24-19(15(2)30-21)13-27-18-7-5-16(6-8-18)10-17-11-28-23(3,22(25)26)29-12-17/h4-9,17H,10-13H2,1-3H3,(H,25,26)/t17-,23+
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| InChIKey |
BNXZEPGDSQRTSS-LBEPJEHYSA-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