General Information of the Compound
| Compound ID |
CP0553328
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| Compound Name |
(2S,3R,4R,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-4-chloro-2-hydroxyphenyl]-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
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| Formula |
C21H19ClF2O5S
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| Molecular Weight |
456.894
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)C1(F)F)c1cc(Cc2cc3ccccc3s2)c(Cl)cc1O
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| InChI |
InChI=1S/C21H19ClF2O5S/c22-14-8-15(26)13(19-18(27)20(28)21(23,24)17(9-25)29-19)7-11(14)6-12-5-10-3-1-2-4-16(10)30-12/h1-5,7-8,17-20,25-28H,6,9H2/t17-,18+,19+,20-/m1/s1
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| InChIKey |
URGFAONHCWSEQV-FUMNGEBKSA-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