General Information of the Compound
| Compound ID |
CP0459334
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| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[5-[(4-methoxyphenyl)methyl]thiophen-3-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C18H22O6S
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| Molecular Weight |
366.435
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| Canonical SMILES |
COc1ccc(Cc2cc(cs2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C18H22O6S/c1-23-12-4-2-10(3-5-12)6-13-7-11(9-25-13)18-17(22)16(21)15(20)14(8-19)24-18/h2-5,7,9,14-22H,6,8H2,1H3/t14-,15-,16+,17-,18+/m1/s1
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| InChIKey |
YXZAEDBGQFQEPA-SFFUCWETSA-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