General Information of the Compound
| Compound ID |
CP0570266
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| Compound Name |
1-[5-(hydroxymethyl)-6-methoxy-3-(4-methylsulfonylphenyl)pyridin-2-yl]oxy-2-methylpropan-2-ol
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| Formula |
C18H23NO6S
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| Molecular Weight |
381.45
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| Canonical SMILES |
COc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H23NO6S/c1-18(2,21)11-25-17-15(9-13(10-20)16(19-17)24-3)12-5-7-14(8-6-12)26(4,22)23/h5-9,20-21H,10-11H2,1-4H3
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| InChIKey |
KNSDKKULYXMREW-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