General Information of the Compound
| Compound ID |
CP0546248
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| Compound Name |
(1S,2S,3R,4R,5S)-5-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-1-methoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
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| Structure |
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| Formula |
C24H27ClO8
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| Molecular Weight |
478.925
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| Canonical SMILES |
CO[C@@]12CO[C@@](O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1
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| InChI |
InChI=1S/C24H27ClO8/c1-29-23-13-31-24(33-23,22(28)20(26)21(23)27)16-4-7-19(25)15(11-16)10-14-2-5-17(6-3-14)32-18-8-9-30-12-18/h2-7,11,18,20-22,26-28H,8-10,12-13H2,1H3/t18-,20-,21-,22+,23-,24-/m0/s1
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| InChIKey |
BCNQXNZNFPMCPS-CLJXQSCZSA-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