General Information of the Compound
| Compound ID |
CP0549450
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6-chloro-6'-methyl-5-[(5-methylthiophen-2-yl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C19H21ClO5S
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| Molecular Weight |
396.892
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| Canonical SMILES |
C[C@H]1O[C@]2(OCc3cc(Cl)c(Cc4ccc(C)s4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C19H21ClO5S/c1-9-3-4-13(26-9)5-11-6-14-12(7-15(11)20)8-24-19(14)18(23)17(22)16(21)10(2)25-19/h3-4,6-7,10,16-18,21-23H,5,8H2,1-2H3/t10-,16-,17+,18-,19+/m1/s1
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| InChIKey |
DVSLMYWENSQQCL-WBPUTQLOSA-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