General Information of the Compound
| Compound ID |
CP0572089
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| Compound Name |
[2-butoxy-6-[(3-methyloxetan-3-yl)methoxy]-5-(4-methylsulfonylphenyl)pyridin-3-yl]methanol
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| Formula |
C22H29NO6S
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| Molecular Weight |
435.542
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| Canonical SMILES |
CCCCOc1nc(OCC2(C)COC2)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H29NO6S/c1-4-5-10-28-20-17(12-24)11-19(16-6-8-18(9-7-16)30(3,25)26)21(23-20)29-15-22(2)13-27-14-22/h6-9,11,24H,4-5,10,12-15H2,1-3H3
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| InChIKey |
GEWHIXBKRQGZNW-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