General Information of the Compound
| Compound ID |
CP0957463
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| Compound Name |
5-Isopropyl-4-[4-(methylsulfanyl)benzyl]-1H-pyrazol-3-yl beta-D-glucopyranoside
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| Structure |
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| Formula |
C20H28N2O6S
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| Molecular Weight |
424.519
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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(C)C)cc1
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| InChI |
InChI=1S/C20H28N2O6S/c1-10(2)15-13(8-11-4-6-12(29-3)7-5-11)19(22-21-15)28-20-18(26)17(25)16(24)14(9-23)27-20/h4-7,10,14,16-18,20,23-26H,8-9H2,1-3H3,(H,21,22)/t14-,16-,17+,18-,20+/m1/s1
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| InChIKey |
CMIQVSDCEJLDOR-NWDGLCLDSA-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