General Information of the Compound
| Compound ID |
CP0456485
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| Compound Name |
2-[4-chloro-2-[2-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C23H24ClNO5S
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| Molecular Weight |
461.967
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| Canonical SMILES |
CC1CCCCN1S(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C23H24ClNO5S/c1-16-6-10-21(31(28,29)25-12-4-3-5-17(25)2)14-18(16)7-8-19-13-20(24)9-11-22(19)30-15-23(26)27/h6,9-11,13-14,17H,3-5,12,15H2,1-2H3,(H,26,27)
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| InChIKey |
WOCHMQRAVLKLMG-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