General Information of the Compound
| Compound ID |
CP0420884
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| Compound Name |
2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-11-phenylundecyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C37H42F3NO3S2
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| Molecular Weight |
669.875
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| Canonical SMILES |
Cc1nc(sc1C(CCCCCCCCCCc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C37H42F3NO3S2/c1-26-24-31(22-23-32(26)44-25-34(42)43)45-33(17-13-8-6-4-3-5-7-10-14-28-15-11-9-12-16-28)35-27(2)41-36(46-35)29-18-20-30(21-19-29)37(38,39)40/h9,11-12,15-16,18-24,33H,3-8,10,13-14,17,25H2,1-2H3,(H,42,43)
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| InChIKey |
BJYVJMKOCWAAOE-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