General Information of the Compound
| Compound ID |
CP0537974
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| Compound Name |
3-[2-fluoro-4-[2-[2-(methylsulfonylmethyl)phenyl]ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H17FO4S
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| Molecular Weight |
360.406
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| Canonical SMILES |
CS(=O)(=O)Cc1ccccc1C#Cc1ccc(CCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C19H17FO4S/c1-25(23,24)13-17-5-3-2-4-15(17)8-6-14-7-9-16(18(20)12-14)10-11-19(21)22/h2-5,7,9,12H,10-11,13H2,1H3,(H,21,22)
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| InChIKey |
BWKPBFNKGMRIBB-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4