General Information of the Compound
| Compound ID |
CP0498302
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-5-((5-(furan-2-yl)thiazol-2-yl)methyl)-2-hydroxyphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C20H20ClNO7S
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| Molecular Weight |
453.9
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ncc(s2)-c2ccco2)c(Cl)cc1O
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| InChI |
InChI=1S/C20H20ClNO7S/c21-11-6-12(24)10(20-19(27)18(26)17(25)14(8-23)29-20)4-9(11)5-16-22-7-15(30-16)13-2-1-3-28-13/h1-4,6-7,14,17-20,23-27H,5,8H2/t14-,17-,18+,19-,20+/m1/s1
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| InChIKey |
XOUWGGCOWMDMDI-QSWMPLQWSA-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