General Information of the Compound
| Compound ID |
CP0398959
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-((2-hydroxyethoxy)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H31ClO7
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| Molecular Weight |
466.958
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| Canonical SMILES |
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCO)cc2Cl)cc1
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| InChI |
InChI=1S/C24H31ClO7/c1-2-14-3-5-15(6-4-14)9-16-10-18(17(11-19(16)25)13-31-8-7-26)24-23(30)22(29)21(28)20(12-27)32-24/h3-6,10-11,20-24,26-30H,2,7-9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
VMKXALKMLJJDTP-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