General Information of the Compound
| Compound ID |
CP0461782
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| Compound Name |
2-[4-cyano-2-[2-(3-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H17NO5S
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| Molecular Weight |
383.425
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| Canonical SMILES |
CCCS(=O)(=O)c1cccc(c1)C#Cc1cc(ccc1OCC(O)=O)C#N
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| InChI |
InChI=1S/C20H17NO5S/c1-2-10-27(24,25)18-5-3-4-15(12-18)6-8-17-11-16(13-21)7-9-19(17)26-14-20(22)23/h3-5,7,9,11-12H,2,10,14H2,1H3,(H,22,23)
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| InChIKey |
IRBVLHSXJNGRRD-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