General Information of the Compound
| Compound ID |
CP0510612
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| Compound Name |
1-[4-[[3-(3,4-dichlorophenyl)-1,2,4-thiadiazol-5-yl]methylsulfanyl]-2-methylphenoxy]cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C22H20Cl2N2O3S2
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| Molecular Weight |
495.453
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| Canonical SMILES |
Cc1cc(SCc2nc(ns2)-c2ccc(Cl)c(Cl)c2)ccc1OC1(CCCC1)C(O)=O
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| InChI |
InChI=1S/C22H20Cl2N2O3S2/c1-13-10-15(5-7-18(13)29-22(21(27)28)8-2-3-9-22)30-12-19-25-20(26-31-19)14-4-6-16(23)17(24)11-14/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,27,28)
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| InChIKey |
WPEUTERXVLVBJD-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