General Information of the Compound
| Compound ID |
CP0536645
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| Compound Name |
3-[2-fluoro-4-[2-[3-(2-methylsulfonylethoxymethyl)phenyl]ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H21FO5S
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| Molecular Weight |
404.459
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| Canonical SMILES |
CS(=O)(=O)CCOCc1cccc(c1)C#Cc1ccc(CCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C21H21FO5S/c1-28(25,26)12-11-27-15-18-4-2-3-16(13-18)5-6-17-7-8-19(20(22)14-17)9-10-21(23)24/h2-4,7-8,13-14H,9-12,15H2,1H3,(H,23,24)
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| InChIKey |
BBMCULPOTOCQTK-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