General Information of the Compound
| Compound ID |
CP0396637
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[5-(azulen-2-ylmethyl)-2-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H26O6
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| Molecular Weight |
410.466
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| Canonical SMILES |
COc1ccc(Cc2cc3cccccc3c2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C24H26O6/c1-29-19-8-7-14(9-15-10-16-5-3-2-4-6-17(16)11-15)12-18(19)24-23(28)22(27)21(26)20(13-25)30-24/h2-8,10-12,20-28H,9,13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
HXFAPXKMKACNGJ-SJSRKZJXSA-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