General Information of the Compound
| Compound ID |
CP0684997
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| Compound Name |
5-(3-chloro-4-(3-(4-phenoxy-2-propylphenoxy)propoxy)phenyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C27H26ClNO5S
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| Molecular Weight |
512.027
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| Canonical SMILES |
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1Cl
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| InChI |
InChI=1S/C27H26ClNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,25H,2,6-7,14-15H2,1H3,(H,29,30,31)
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| InChIKey |
JGKOULRFFRAIPG-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