General Information of the Compound
| Compound ID |
CP0523522
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| Compound Name |
ethyl 2-[[5-[(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-2-methylphenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
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| Structure |
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| Formula |
C24H30FNO7S
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| Molecular Weight |
495.569
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| Canonical SMILES |
CCOC(=O)N1CCc2sc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](F)[C@H](O)[C@H]4O)c(O)cc3C)cc2C1
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| InChI |
InChI=1S/C24H30FNO7S/c1-3-32-24(31)26-5-4-19-14(10-26)8-15(34-19)7-13-9-16(17(28)6-12(13)2)23-22(30)21(29)20(25)18(11-27)33-23/h6,8-9,18,20-23,27-30H,3-5,7,10-11H2,1-2H3/t18-,20-,21+,22-,23+/m1/s1
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| InChIKey |
JRDIMDDSSRRUQI-IFPLKCGESA-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