General Information of the Compound
| Compound ID |
CP0549461
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-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 |
C19H22O5S
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| Molecular Weight |
362.447
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| Canonical SMILES |
C[C@H]1O[C@]2(OCc3ccc(Cc4ccc(C)s4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C19H22O5S/c1-10-3-6-14(25-10)7-12-4-5-13-9-23-19(15(13)8-12)18(22)17(21)16(20)11(2)24-19/h3-6,8,11,16-18,20-22H,7,9H2,1-2H3/t11-,16-,17+,18-,19+/m1/s1
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| InChIKey |
QQEKZPNWONPEHM-ZMKKGPNFSA-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