General Information of the Compound
| Compound ID |
CP0432345
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| Compound Name |
2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-4-phenylbutyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C30H28F3NO3S2
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| Molecular Weight |
571.686
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| Canonical SMILES |
Cc1nc(sc1C(CCCc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H28F3NO3S2/c1-19-17-24(15-16-25(19)37-18-27(35)36)38-26(10-6-9-21-7-4-3-5-8-21)28-20(2)34-29(39-28)22-11-13-23(14-12-22)30(31,32)33/h3-5,7-8,11-17,26H,6,9-10,18H2,1-2H3,(H,35,36)
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| InChIKey |
DUZVPJRZUHZSMN-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