General Information of the Compound
| Compound ID |
CP0235684
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| Compound Name |
3-[4-[2-[6-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoic acid
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| Structure |
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| Formula |
C31H28F3NO8S
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| Molecular Weight |
631.625
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| Canonical SMILES |
COc1cc(OC)cc(\C=C\C(=O)c2ccc3n(CCOc4ccc(CC(OCC(F)(F)F)C(O)=O)cc4)c(=O)sc3c2)c1
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| InChI |
InChI=1S/C31H28F3NO8S/c1-40-23-13-20(14-24(17-23)41-2)5-10-26(36)21-6-9-25-28(16-21)44-30(39)35(25)11-12-42-22-7-3-19(4-8-22)15-27(29(37)38)43-18-31(32,33)34/h3-10,13-14,16-17,27H,11-12,15,18H2,1-2H3,(H,37,38)/b10-5+
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| InChIKey |
UJLBSAOUZCZAHT-BJMVGYQFSA-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