General Information of the Compound
| Compound ID |
CP0505975
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| Compound Name |
2-[4-chloro-2-[2-(5-methylsulfonyl-2-propylphenyl)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 |
CCCc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(C)(=O)=O
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| InChI |
InChI=1S/C20H19ClO5S/c1-3-4-14-7-9-18(27(2,24)25)12-15(14)5-6-16-11-17(21)8-10-19(16)26-13-20(22)23/h7-12H,3-4,13H2,1-2H3,(H,22,23)
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| InChIKey |
IWYDNVINBPQDPL-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