General Information of the Compound
| Compound ID |
CP0536695
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6-chloro-5-[(5-chlorothiophen-2-yl)methyl]-6'-methylspiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C18H18Cl2O5S
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| Molecular Weight |
417.31
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| Canonical SMILES |
C[C@H]1O[C@]2(OCc3cc(Cl)c(Cc4ccc(Cl)s4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C18H18Cl2O5S/c1-8-15(21)16(22)17(23)18(25-8)12-5-9(4-11-2-3-14(20)26-11)13(19)6-10(12)7-24-18/h2-3,5-6,8,15-17,21-23H,4,7H2,1H3/t8-,15-,16+,17-,18+/m1/s1
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| InChIKey |
OANFNBCSQAJHPK-RZSKSGGJSA-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