General Information of the Compound
| Compound ID |
CP0462917
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-5-((5-(4-fluorophenyl)thiazol-2-yl)methyl)-2-methoxyphenyl)-6-(hydroxymethyl)tetrahydro-2Hpyran-3,4,5-triol
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| Structure |
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| Formula |
C23H23ClFNO6S
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| Molecular Weight |
495.956
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| Canonical SMILES |
COc1cc(Cl)c(Cc2ncc(s2)-c2ccc(F)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C23H23ClFNO6S/c1-31-16-8-15(24)12(6-14(16)23-22(30)21(29)20(28)17(10-27)32-23)7-19-26-9-18(33-19)11-2-4-13(25)5-3-11/h2-6,8-9,17,20-23,27-30H,7,10H2,1H3/t17-,20-,21+,22-,23+/m1/s1
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| InChIKey |
XUYIQUGJEDWZPH-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