General Information of the Compound
| Compound ID |
CP0427323
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-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 |
C18H19ClO5S
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| Molecular Weight |
382.865
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| Canonical SMILES |
C[C@H]1O[C@]2(OCc3ccc(Cc4ccc(Cl)s4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C18H19ClO5S/c1-9-15(20)16(21)17(22)18(24-9)13-7-10(2-3-11(13)8-23-18)6-12-4-5-14(19)25-12/h2-5,7,9,15-17,20-22H,6,8H2,1H3/t9-,15-,16+,17-,18+/m1/s1
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| InChIKey |
HZMKJODCNVFJEY-PXQMDTLBSA-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