General Information of the Compound
| Compound ID |
CP0393316
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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]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C22H25FN2O5S
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| Molecular Weight |
448.516
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| Canonical SMILES |
Cc1cc(O)c(cc1Cc1cc2CN(CCc2s1)C#N)[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H25FN2O5S/c1-11-4-16(27)15(22-21(29)20(28)19(23)17(9-26)30-22)7-12(11)5-14-6-13-8-25(10-24)3-2-18(13)31-14/h4,6-7,17,19-22,26-29H,2-3,5,8-9H2,1H3/t17-,19-,20+,21-,22+/m1/s1
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| InChIKey |
CSNQRNLDJGBNRX-VOFPXKNKSA-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