General Information of the Compound
| Compound ID |
CP0654439
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| Compound Name |
5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-propoxy}-phenyl)-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C28H29NO6S
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| Molecular Weight |
507.608
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| Canonical SMILES |
CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1
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| InChI |
InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,26H,3,5-6,15-16H2,1-2H3,(H,29,30,31)
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| InChIKey |
BYFIJPNXLIWWPM-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