General Information of the Compound
| Compound ID |
CP0734398
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| Compound Name |
5-(4-(3-(4-phenoxy-2-propylphenoxy)propoxy)-3-propylphenyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C30H33NO5S
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| Molecular Weight |
519.663
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| Canonical SMILES |
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1CCC
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| InChI |
InChI=1S/C30H33NO5S/c1-3-9-21-19-23(28-29(32)31-30(33)37-28)13-15-26(21)34-17-8-18-35-27-16-14-25(20-22(27)10-4-2)36-24-11-6-5-7-12-24/h5-7,11-16,19-20,28H,3-4,8-10,17-18H2,1-2H3,(H,31,32,33)
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| InChIKey |
HWZLQPWBZNJEHC-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