General Information of the Compound
| Compound ID |
CP0395103
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| Compound Name |
2-[4-chloro-2-[2-(2-fluoro-5-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C19H16ClFO5S
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| Molecular Weight |
410.85
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| Canonical SMILES |
CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C19H16ClFO5S/c1-2-9-27(24,25)16-6-7-17(21)13(11-16)3-4-14-10-15(20)5-8-18(14)26-12-19(22)23/h5-8,10-11H,2,9,12H2,1H3,(H,22,23)
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| InChIKey |
FLVRGQWJTKWGBU-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
Protein ID: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT04403, Prostaglandin D2 receptor 2