General Information of the Compound
| Compound ID |
CP0405782
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| Compound Name |
2-[[5-[(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-methoxy-2-methylphenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C23H27FN2O5S
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| Molecular Weight |
462.543
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| Canonical SMILES |
COc1cc(C)c(Cc2cc3CN(CCc3s2)C#N)cc1[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C23H27FN2O5S/c1-12-5-17(30-2)16(23-22(29)21(28)20(24)18(10-27)31-23)8-13(12)6-15-7-14-9-26(11-25)4-3-19(14)32-15/h5,7-8,18,20-23,27-29H,3-4,6,9-10H2,1-2H3/t18-,20-,21+,22-,23+/m1/s1
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| InChIKey |
MNCHCPLVIYRKIQ-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