General Information of the Compound
| Compound ID |
CP0568426
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| Compound Name |
3-[[6-butoxy-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]oxetan-3-ol
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| Formula |
C21H27NO7S
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| Molecular Weight |
437.514
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| Canonical SMILES |
CCCCOc1nc(OCC2(O)COC2)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H27NO7S/c1-3-4-9-28-19-16(11-23)10-18(15-5-7-17(8-6-15)30(2,25)26)20(22-19)29-14-21(24)12-27-13-21/h5-8,10,23-24H,3-4,9,11-14H2,1-2H3
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| InChIKey |
ULHUEBYROLLRCL-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