General Information of the Compound
| Compound ID |
CP0452236
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| Compound Name |
2-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C20H25N3O6
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| Molecular Weight |
403.435
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| Canonical SMILES |
CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1C#N
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| InChI |
InChI=1S/C20H25N3O6/c1-10(2)15-13(7-11-5-3-4-6-12(11)8-21)19(23-22-15)29-20-18(27)17(26)16(25)14(9-24)28-20/h3-6,10,14,16-18,20,24-27H,7,9H2,1-2H3,(H,22,23)/t14-,16-,17+,18-,20+/m1/s1
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| InChIKey |
TWJGZBTVUGOMLQ-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