General Information of the Compound
| Compound ID |
CP0526693
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H25ClO7
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| Molecular Weight |
424.877
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| Canonical SMILES |
OCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C21H25ClO7/c22-16-6-3-13(21-20(27)19(26)18(25)17(11-24)29-21)10-14(16)9-12-1-4-15(5-2-12)28-8-7-23/h1-6,10,17-21,23-27H,7-9,11H2/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
STMNAVDUFWBPSB-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2