General Information of the Compound
| Compound ID |
CP0526692
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-prop-2-ynoxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H27ClO7
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| Molecular Weight |
462.926
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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(OCCOCC#C)cc2)c1
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| InChI |
InChI=1S/C24H27ClO7/c1-2-9-30-10-11-31-18-6-3-15(4-7-18)12-17-13-16(5-8-19(17)25)24-23(29)22(28)21(27)20(14-26)32-24/h1,3-8,13,20-24,26-29H,9-12,14H2/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
MSMWKUYWZFAMKM-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2