General Information of the Compound
| Compound ID |
CP0501310
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| Compound Name |
(2S,3R,4R,5S,6S)-2-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(methylsulfonylmethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H22ClNO7S2
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| Molecular Weight |
499.994
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| Canonical SMILES |
CS(=O)(=O)C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
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| InChI |
InChI=1S/C21H22ClNO7S2/c1-32(27,28)10-15-18(24)19(25)20(26)21(30-15)11-4-5-13(22)12(7-11)8-17-23-9-16(31-17)14-3-2-6-29-14/h2-7,9,15,18-21,24-26H,8,10H2,1H3/t15-,18-,19+,20-,21+/m1/s1
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| InChIKey |
FFBHTFDZVVRHSO-GRARQNNCSA-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