General Information of the Compound
| Compound ID |
CP0504916
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-5-((5-(furan-2-yl)thiazol-2-yl)methyl)-2-propoxyphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H26ClNO7S
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| Molecular Weight |
495.981
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| Canonical SMILES |
CCCOc1cc(Cl)c(Cc2ncc(s2)-c2ccco2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C23H26ClNO7S/c1-2-5-30-16-9-14(24)12(8-19-25-10-18(33-19)15-4-3-6-31-15)7-13(16)23-22(29)21(28)20(27)17(11-26)32-23/h3-4,6-7,9-10,17,20-23,26-29H,2,5,8,11H2,1H3/t17-,20-,21+,22-,23+/m1/s1
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| InChIKey |
XEKVPVPCEVQFGX-PHNZBSFLSA-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