General Information of the Compound
| Compound ID |
CP0410209
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| Compound Name |
2-[4-[2-anthracen-9-yl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]sulfanyl-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C36H28F3NO3S2
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| Molecular Weight |
643.752
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| Canonical SMILES |
Cc1nc(sc1C(Cc1c2ccccc2cc2ccccc12)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C36H28F3NO3S2/c1-21-17-27(15-16-31(21)43-20-33(41)42)44-32(19-30-28-9-5-3-7-24(28)18-25-8-4-6-10-29(25)30)34-22(2)40-35(45-34)23-11-13-26(14-12-23)36(37,38)39/h3-18,32H,19-20H2,1-2H3,(H,41,42)
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| InChIKey |
PTSQRTVXWMJAOL-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: PT00915, Peroxisome proliferator-activated receptor gamma