General Information of the Compound
| Compound ID |
CP0478538
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-5-((5-(furan-2-yl)thiazol-2-yl)methyl)-2-(2-hydroxyethoxy)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H24ClNO8S
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| Molecular Weight |
497.953
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| Canonical SMILES |
OCCOc1cc(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/C22H24ClNO8S/c23-13-8-15(31-5-3-25)12(22-21(29)20(28)19(27)16(10-26)32-22)6-11(13)7-18-24-9-17(33-18)14-2-1-4-30-14/h1-2,4,6,8-9,16,19-22,25-29H,3,5,7,10H2/t16-,19-,20+,21-,22+/m1/s1
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| InChIKey |
DPHSIGZTEAAQSY-OSKXVONFSA-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