General Information of the Compound
| Compound ID |
CP0955979
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| Compound Name |
4-Benzyl-5-methyl-1H-pyrazol-3-yl beta-D-glucopyranoside
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| Structure |
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| Formula |
C17H22N2O6
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| Molecular Weight |
350.371
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| Canonical SMILES |
Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1
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| InChI |
InChI=1S/C17H22N2O6/c1-9-11(7-10-5-3-2-4-6-10)16(19-18-9)25-17-15(23)14(22)13(21)12(8-20)24-17/h2-6,12-15,17,20-23H,7-8H2,1H3,(H,18,19)/t12-,13-,14+,15-,17+/m1/s1
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| InChIKey |
OFVXIEBOPMVNOI-GAGVYUBLSA-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