General Information of the Compound
| Compound ID |
CP0393317
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| Compound Name |
[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]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
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| Structure |
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| Formula |
C25H27FN2O6S2
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| Molecular Weight |
534.631
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| Canonical SMILES |
Cc1cc(O)c(cc1Cc1cc2CN(CCc2s1)C(=O)c1nccs1)[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C25H27FN2O6S2/c1-12-6-17(30)16(23-22(32)21(31)20(26)18(11-29)34-23)9-13(12)7-15-8-14-10-28(4-2-19(14)36-15)25(33)24-27-3-5-35-24/h3,5-6,8-9,18,20-23,29-32H,2,4,7,10-11H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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| InChIKey |
VCHMTHOALXARTC-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