General Information of the Compound
| Compound ID |
CP0672145
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| Compound Name |
5-(3-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenoxy]-propoxy}-phenyl)-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C32H35NO5S
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| Molecular Weight |
545.701
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| Canonical SMILES |
CCCc1cc(Oc2ccc(C3CCCC3)cc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1
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| InChI |
InChI=1S/C32H35NO5S/c1-2-7-24-20-28(38-26-14-12-23(13-15-26)22-8-3-4-9-22)16-17-29(24)37-19-6-18-36-27-11-5-10-25(21-27)30-31(34)33-32(35)39-30/h5,10-17,20-22,30H,2-4,6-9,18-19H2,1H3,(H,33,34,35)
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| InChIKey |
XFDVNAHBJNVLAA-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