General Information of the Compound
| Compound ID |
CP0528834
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[5-chloro-4-[(4-prop-2-enoxyphenyl)methyl]thiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C20H23ClO6S
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| Molecular Weight |
426.918
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(OCC=C)cc2)c(Cl)s1
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| InChI |
InChI=1S/C20H23ClO6S/c1-2-7-26-13-5-3-11(4-6-13)8-12-9-15(28-20(12)21)19-18(25)17(24)16(23)14(10-22)27-19/h2-6,9,14,16-19,22-25H,1,7-8,10H2/t14-,16-,17+,18-,19+/m1/s1
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| InChIKey |
DBHDSGVPTUJUNY-FTWQHDNSSA-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