General Information of the Compound
| Compound ID |
CP0761841
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| Compound Name |
5-(4-(3-(4-(4-(methylsulfonyl)phenoxy)-2-propylphenoxy)propoxy)phenyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C28H29NO7S2
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| Molecular Weight |
555.674
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| Canonical SMILES |
CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
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| InChI |
InChI=1S/C28H29NO7S2/c1-3-5-20-18-23(36-22-10-13-24(14-11-22)38(2,32)33)12-15-25(20)35-17-4-16-34-21-8-6-19(7-9-21)26-27(30)29-28(31)37-26/h6-15,18,26H,3-5,16-17H2,1-2H3,(H,29,30,31)
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| InChIKey |
MDUUPNIBHJWYFO-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma