General Information of the Compound
| Compound ID |
CP0490439
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[6-[(4-ethylphenyl)methyl]pyridin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C20H25NO5
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| Molecular Weight |
359.422
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| Canonical SMILES |
CCc1ccc(Cc2cccc(n2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C20H25NO5/c1-2-12-6-8-13(9-7-12)10-14-4-3-5-15(21-14)20-19(25)18(24)17(23)16(11-22)26-20/h3-9,16-20,22-25H,2,10-11H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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| InChIKey |
MNYPIKHXJLAXFI-OBKDMQGPSA-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