General Information of the Compound
| Compound ID |
CP0483769
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| Compound Name |
(2S,3R,4R,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-2-hydroxy-4-methoxyphenyl]-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
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| Structure |
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| Formula |
C22H22F2O6S
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| Molecular Weight |
452.475
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| Canonical SMILES |
COc1cc(O)c(cc1Cc1cc2ccccc2s1)[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H22F2O6S/c1-29-16-9-15(26)14(20-19(27)21(28)22(23,24)18(10-25)30-20)8-12(16)7-13-6-11-4-2-3-5-17(11)31-13/h2-6,8-9,18-21,25-28H,7,10H2,1H3/t18-,19+,20+,21-/m1/s1
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| InChIKey |
GOCCTPLZCAJZLV-IVAOSVALSA-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