General Information of the Compound
| Compound ID |
CP0241505
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| Compound Name |
3-[4-[2-[6-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-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 |
C30H28F3NO7S
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| Molecular Weight |
603.615
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| Canonical SMILES |
COc1cc(OC)cc(\C=C\c2ccc3n(CCOc4ccc(CC(OCC(F)(F)F)C(O)=O)cc4)c(=O)sc3c2)c1
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| InChI |
InChI=1S/C30H28F3NO7S/c1-38-23-13-21(14-24(17-23)39-2)4-3-20-7-10-25-27(16-20)42-29(37)34(25)11-12-40-22-8-5-19(6-9-22)15-26(28(35)36)41-18-30(31,32)33/h3-10,13-14,16-17,26H,11-12,15,18H2,1-2H3,(H,35,36)/b4-3+
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| InChIKey |
FHWDYHYHAMRIIE-ONEGZZNKSA-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