General Information of the Compound
| Compound ID |
CP0395105
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| Compound Name |
2-[4-chloro-2-[2-(3-methylsulfonylphenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C17H13ClO5S
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| Molecular Weight |
364.806
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C17H13ClO5S/c1-24(21,22)15-4-2-3-12(9-15)5-6-13-10-14(18)7-8-16(13)23-11-17(19)20/h2-4,7-10H,11H2,1H3,(H,19,20)
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| InChIKey |
JMRXNOXXEJZBMU-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