General Information of the Compound
| Compound ID |
CP0454767
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| Compound Name |
2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C34H28F3NO3S2
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| Molecular Weight |
619.73
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| Canonical SMILES |
Cc1nc(sc1C(Cc1ccc(cc1)-c1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C34H28F3NO3S2/c1-21-18-28(16-17-29(21)41-20-31(39)40)42-30(19-23-8-10-25(11-9-23)24-6-4-3-5-7-24)32-22(2)38-33(43-32)26-12-14-27(15-13-26)34(35,36)37/h3-18,30H,19-20H2,1-2H3,(H,39,40)
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| InChIKey |
CRHWCJFQSNFQMK-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