General Information of the Compound
| Compound ID |
CP0551620
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| Compound Name |
1-[6-butoxy-5-(2-hydroxyethoxymethyl)-3-(4-methylsulfonylphenyl)pyridin-2-yl]oxy-2-methylpropan-2-ol
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| Formula |
C23H33NO7S
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| Molecular Weight |
467.584
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| Canonical SMILES |
CCCCOc1nc(OCC(C)(C)O)c(cc1COCCO)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H33NO7S/c1-5-6-12-30-21-18(15-29-13-11-25)14-20(22(24-21)31-16-23(2,3)26)17-7-9-19(10-8-17)32(4,27)28/h7-10,14,25-26H,5-6,11-13,15-16H2,1-4H3
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| InChIKey |
UGFOYCNEYFSHGF-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: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2