General Information of the Compound
| Compound ID |
CP0864400
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| Compound Name |
5-Ethyl-3-(beta-D-glucopyranosyloxy)-4-[(4-methylthiophenyl)methyl]-1H-pyrazole
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| Structure |
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| Formula |
C19H26N2O6S
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| Molecular Weight |
410.492
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| Canonical SMILES |
CCc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(SC)cc1
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| InChI |
InChI=1S/C19H26N2O6S/c1-3-13-12(8-10-4-6-11(28-2)7-5-10)18(21-20-13)27-19-17(25)16(24)15(23)14(9-22)26-19/h4-7,14-17,19,22-25H,3,8-9H2,1-2H3,(H,20,21)/t14-,15-,16+,17-,19+/m1/s1
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| InChIKey |
MJKMCXPZRFJSEC-ILYVXUQDSA-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