General Information of the Compound
| Compound ID |
CP0374335
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| Compound Name |
2-Methyl-c-5-[4-{2-(5-methyl-2-phenyloxazol-4-yl)ethoxy}benzyl]-1,3-dioxane-s-2-carboxylic acid
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| Formula |
C25H27NO6
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| Molecular Weight |
437.492
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1
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| InChI |
InChI=1S/C25H27NO6/c1-17-22(26-23(32-17)20-6-4-3-5-7-20)12-13-29-21-10-8-18(9-11-21)14-19-15-30-25(2,24(27)28)31-16-19/h3-11,19H,12-16H2,1-2H3,(H,27,28)/t19-,25+
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| InChIKey |
QJSMCQQAUANXCW-KJDSRRNHSA-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