General Information of the Compound
| Compound ID |
CP0848373
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| Compound Name |
3-(beta-D-Glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole
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| Structure |
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| Formula |
C18H24N2O6S
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| Molecular Weight |
396.465
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| Canonical SMILES |
CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1
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| InChI |
InChI=1S/C18H24N2O6S/c1-9-12(7-10-3-5-11(27-2)6-4-10)17(20-19-9)26-18-16(24)15(23)14(22)13(8-21)25-18/h3-6,13-16,18,21-24H,7-8H2,1-2H3,(H,19,20)/t13-,14-,15+,16-,18+/m1/s1
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| InChIKey |
YDUBQUANDNHHKO-QFXBJFAPSA-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