General Information of the Compound
| Compound ID |
CP0484241
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| Compound Name |
N-[4-[[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]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C20H29N3O8S
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| Molecular Weight |
471.532
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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)c1Cc1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C20H29N3O8S/c1-10(2)15-13(8-11-4-6-12(7-5-11)23-32(3,28)29)19(22-21-15)31-20-18(27)17(26)16(25)14(9-24)30-20/h4-7,10,14,16-18,20,23-27H,8-9H2,1-3H3,(H,21,22)/t14-,16-,17+,18-,20+/m1/s1
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| InChIKey |
RAHGTIARTPWCBX-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