General Information of the Compound
| Compound ID |
CP0559010
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| Compound Name |
1-[6-butoxy-5-(1-hydroxyethyl)-3-(4-methylsulfonylphenyl)pyridin-2-yl]oxy-2-methylpropan-2-ol
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| Formula |
C22H31NO6S
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| Molecular Weight |
437.558
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| Canonical SMILES |
CCCCOc1nc(OCC(C)(C)O)c(cc1C(C)O)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H31NO6S/c1-6-7-12-28-20-18(15(2)24)13-19(21(23-20)29-14-22(3,4)25)16-8-10-17(11-9-16)30(5,26)27/h8-11,13,15,24-25H,6-7,12,14H2,1-5H3
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| InChIKey |
XRJSBSYDBZUZPJ-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