General Information of the Compound
| Compound ID |
CP0569828
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| Compound Name |
[2-butoxy-5-(4-methylsulfonylphenyl)-6-(oxetan-3-ylmethoxy)pyridin-3-yl]methanol
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| Formula |
C21H27NO6S
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| Molecular Weight |
421.515
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| Canonical SMILES |
CCCCOc1nc(OCC2COC2)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H27NO6S/c1-3-4-9-27-20-17(11-23)10-19(21(22-20)28-14-15-12-26-13-15)16-5-7-18(8-6-16)29(2,24)25/h5-8,10,15,23H,3-4,9,11-14H2,1-2H3
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| InChIKey |
BMLSVSXCXUNNCV-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