General Information of the Compound
| Compound ID |
CP0490440
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| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(pyridin-2-ylmethyl)phenyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C18H21NO5
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| Molecular Weight |
331.368
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccccn2)c1
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| InChI |
InChI=1S/C18H21NO5/c20-10-14-15(21)16(22)17(23)18(24-14)12-5-3-4-11(8-12)9-13-6-1-2-7-19-13/h1-8,14-18,20-23H,9-10H2/t14-,15-,16+,17-,18+/m1/s1
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| InChIKey |
SFMLMXKPUWXMMH-SFFUCWETSA-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