General Information of the Compound
| Compound ID |
CP0462099
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| Compound Name |
(2S,3R,4R,5R)-2-[4-chloro-5-[(4-ethoxyphenyl)methyl]-2-methoxyphenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C22H27ClO7
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| Molecular Weight |
438.904
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| Canonical SMILES |
CCOc1ccc(Cc2cc([C@@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)c(OC)cc2Cl)cc1
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| InChI |
InChI=1S/C22H27ClO7/c1-3-29-14-6-4-12(5-7-14)8-13-9-15(18(28-2)10-16(13)23)21-19(26)20(27)22(30-21)17(25)11-24/h4-7,9-10,17,19-22,24-27H,3,8,11H2,1-2H3/t17-,19-,20-,21+,22-/m1/s1
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| InChIKey |
HRZSKNKQKNTTHI-OHLDOZIISA-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