General Information of the Compound
Compound ID |
CP0539344
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Compound Name |
(2S,3R,4R,5S,6S)-2-(4-chloro-3-(4-methoxybenzyl)phenyl)-6-(fluoromethyl)-5-methoxytetrahydro-2H-pyran-3,4-diol
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Structure |
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Formula |
C21H24ClFO5
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Molecular Weight |
410.869
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Canonical SMILES |
CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CF)c1ccc(Cl)c(Cc2ccc(OC)cc2)c1
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InChI |
InChI=1S/C21H24ClFO5/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/h3-8,10,17-21,24-25H,9,11H2,1-2H3/t17-,18-,19-,20+,21-/m1/s1
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InChIKey |
HWOLQSQGJBCFFY-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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