General Information of the Compound
| Compound ID |
CP0410223
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| Compound Name |
2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-8-phenyloctyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C34H36F3NO3S2
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| Molecular Weight |
627.794
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| Canonical SMILES |
Cc1nc(sc1C(CCCCCCCc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C34H36F3NO3S2/c1-23-21-28(19-20-29(23)41-22-31(39)40)42-30(14-10-5-3-4-7-11-25-12-8-6-9-13-25)32-24(2)38-33(43-32)26-15-17-27(18-16-26)34(35,36)37/h6,8-9,12-13,15-21,30H,3-5,7,10-11,14,22H2,1-2H3,(H,39,40)
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| InChIKey |
YNLWXOXNYOWCGU-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