General Information of the Compound
| Compound ID |
CP0415617
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| Compound Name |
2-[2-methyl-4-[2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C30H25F3O3S
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| Molecular Weight |
522.588
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| Canonical SMILES |
Cc1cc(SC(Cc2ccccc2)c2ccc(cc2)-c2cccc(c2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C30H25F3O3S/c1-20-16-26(14-15-27(20)36-19-29(34)35)37-28(17-21-6-3-2-4-7-21)23-12-10-22(11-13-23)24-8-5-9-25(18-24)30(31,32)33/h2-16,18,28H,17,19H2,1H3,(H,34,35)
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| InChIKey |
ITRWCUYVEOVCOH-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