General Information of the Compound
| Compound ID |
CP0446646
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-((2,3-dihydrobenzofuran-6-yl)methyl)-1H-indol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H25NO7
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| Molecular Weight |
427.453
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc5CCOc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C23H25NO7/c25-11-18-20(26)21(27)22(28)23(31-18)30-16-3-1-2-15-19(16)14(10-24-15)8-12-4-5-13-6-7-29-17(13)9-12/h1-5,9-10,18,20-28H,6-8,11H2/t18-,20-,21+,22-,23-/m1/s1
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| InChIKey |
JIQDXQSGNNHQOD-DODNOZFWSA-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