General Information of the Compound
| Compound ID |
CP0564249
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| Compound Name |
3-[5-[[3-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]thiophen-2-yl]propanoic acid
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| Structure |
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| Formula |
C21H19FO4S
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| Molecular Weight |
386.444
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1cccc(COc2ccc(CCC(O)=O)s2)c1
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| InChI |
InChI=1S/C21H19FO4S/c1-25-16-5-8-19(22)18(12-16)15-4-2-3-14(11-15)13-26-21-10-7-17(27-21)6-9-20(23)24/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,23,24)
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| InChIKey |
GJURYSAPHIVXJY-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