General Information of the Compound
| Compound ID |
CP0415614
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| Compound Name |
2-[4-[1-[4-(4-fluorophenyl)phenyl]-2-phenylethyl]sulfanyl-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C29H25FO3S
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| Molecular Weight |
472.581
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| Canonical SMILES |
Cc1cc(SC(Cc2ccccc2)c2ccc(cc2)-c2ccc(F)cc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C29H25FO3S/c1-20-17-26(15-16-27(20)33-19-29(31)32)34-28(18-21-5-3-2-4-6-21)24-9-7-22(8-10-24)23-11-13-25(30)14-12-23/h2-17,28H,18-19H2,1H3,(H,31,32)
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| InChIKey |
XWFOXJOKNROYGR-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