General Information of the Compound
| Compound ID |
CP0476266
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| Compound Name |
2-[4-chloro-2-[2-(5-methylsulfonyl-2-propan-2-ylphenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H19ClO5S
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| Molecular Weight |
406.887
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| Canonical SMILES |
CC(C)c1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
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| InChI |
InChI=1S/C20H19ClO5S/c1-13(2)18-8-7-17(27(3,24)25)11-14(18)4-5-15-10-16(21)6-9-19(15)26-12-20(22)23/h6-11,13H,12H2,1-3H3,(H,22,23)
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| InChIKey |
JYAOXMZQLSENSK-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