General Information of the Compound
| Compound ID |
CP0082632
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)methyl)-4-chlorophenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H23ClN2O7
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| Molecular Weight |
486.908
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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)-c2ccc3OCOc3c2)c1
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| InChI |
InChI=1S/C24H23ClN2O7/c25-16-4-1-13(24-23(31)22(30)21(29)20(10-28)34-24)7-14(16)8-15-3-5-17(27-26-15)12-2-6-18-19(9-12)33-11-32-18/h1-7,9,20-24,28-31H,8,10-11H2/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
SQMNHLLVXKXCMD-SJSRKZJXSA-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