General Information of the Compound
| Compound ID |
CP0484563
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| Compound Name |
2-[4-chloro-2-[2-(2-fluoro-5-propylsulfonylphenyl)ethynyl]phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C21H20ClFO5S
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| Molecular Weight |
438.904
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| Canonical SMILES |
CCCS(=O)(=O)c1ccc(F)c(c1)C#Cc1cc(Cl)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C21H20ClFO5S/c1-4-11-29(26,27)17-8-9-18(23)14(13-17)5-6-15-12-16(22)7-10-19(15)28-21(2,3)20(24)25/h7-10,12-13H,4,11H2,1-3H3,(H,24,25)
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| InChIKey |
RAERTZCDFOKEMZ-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