General Information of the Compound
| Compound ID |
CP0716559
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| Compound Name |
N-(4-(4-(3-(4-(2,4-dioxothiazolidin-5-yl)phenoxy)propoxy)-3-propylphenoxy)phenyl)-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C34H34N2O7S2
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| Molecular Weight |
646.787
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| Canonical SMILES |
CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
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| InChI |
InChI=1S/C34H34N2O7S2/c1-3-5-25-22-29(43-28-14-10-26(11-15-28)36-45(39,40)30-17-6-23(2)7-18-30)16-19-31(25)42-21-4-20-41-27-12-8-24(9-13-27)32-33(37)35-34(38)44-32/h6-19,22,32,36H,3-5,20-21H2,1-2H3,(H,35,37,38)
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| InChIKey |
DRUNXIOYVDSGII-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