General Information of the Compound
| Compound ID |
CP0388468
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[2-(1-methylcyclopropyl)oxyethoxy]phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C25H31ClO7
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| Molecular Weight |
478.969
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| Canonical SMILES |
CC1(CC1)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/C25H31ClO7/c1-25(8-9-25)32-11-10-31-18-5-2-15(3-6-18)12-17-13-16(4-7-19(17)26)24-23(30)22(29)21(28)20(14-27)33-24/h2-7,13,20-24,27-30H,8-12,14H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
RSKISEGUPKNIQB-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