General Information of the Compound
| Compound ID |
CP0427151
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| Compound Name |
2-[4-chloro-2-[2-[3-(2-hydroxyethylsulfonyl)phenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C18H15ClO6S
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| Molecular Weight |
394.832
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| Canonical SMILES |
OCCS(=O)(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C18H15ClO6S/c19-15-6-7-17(25-12-18(21)22)14(11-15)5-4-13-2-1-3-16(10-13)26(23,24)9-8-20/h1-3,6-7,10-11,20H,8-9,12H2,(H,21,22)
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| InChIKey |
RZNMYGLQBDASEC-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