General Information of the Compound
| Compound ID |
CP0499400
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| Compound Name |
2-[4-chloro-2-[2-(2-methyl-5-propylsulfonylphenyl)ethynyl]phenoxy]-4-methylpentanoic acid
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| Structure |
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| Formula |
C24H27ClO5S
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| Molecular Weight |
462.995
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| Canonical SMILES |
CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OC(CC(C)C)C(O)=O
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| InChI |
InChI=1S/C24H27ClO5S/c1-5-12-31(28,29)21-10-6-17(4)18(15-21)7-8-19-14-20(25)9-11-22(19)30-23(24(26)27)13-16(2)3/h6,9-11,14-16,23H,5,12-13H2,1-4H3,(H,26,27)
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| InChIKey |
DLUAQHRVFHIDAV-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