General Information of the Compound
| Compound ID |
CP0206473
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-(furan-2-yl)pyridazin-3-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H21ClN2O6
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| Molecular Weight |
432.86
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(nn2)-c2ccco2)c1
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| InChI |
InChI=1S/C21H21ClN2O6/c22-14-5-3-11(21-20(28)19(27)18(26)17(10-25)30-21)8-12(14)9-13-4-6-15(24-23-13)16-2-1-7-29-16/h1-8,17-21,25-28H,9-10H2/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
SHGFWSRCLGEWAA-ADAARDCZSA-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