General Information of the Compound
| Compound ID |
CP0401966
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)phenyl)-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3,4-diol
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| Structure |
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| Formula |
C21H25ClO6
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| Molecular Weight |
408.878
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| Canonical SMILES |
CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)c1ccc(Cl)c(Cc2ccc(OC)cc2)c1
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| InChI |
InChI=1S/C21H25ClO6/c1-26-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)20-18(24)19(25)21(27-2)17(11-23)28-20/h3-8,10,17-21,23-25H,9,11H2,1-2H3/t17-,18-,19-,20+,21-/m1/s1
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| InChIKey |
NXYSNYOIJXOPQR-SSSFQFABSA-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