General Information of the Compound
| Compound ID |
CP0782507
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| Compound Name |
5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]-propoxy}-phenyl)-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(Oc2ccc(C(C)C)cc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1
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| InChI |
InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,28H,4,6-7,16-17H2,1-3H3,(H,31,32,33)
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| InChIKey |
WHRFBVLXQHYSAS-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