General Information of the Compound
| Compound ID |
CP0503145
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[3-bromo-5-[(4-ethylphenyl)methyl]-4-methylthiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C20H25BrO5S
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| Molecular Weight |
457.386
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| Canonical SMILES |
CCc1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(Br)c2C)cc1
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| InChI |
InChI=1S/C20H25BrO5S/c1-3-11-4-6-12(7-5-11)8-14-10(2)15(21)20(27-14)19-18(25)17(24)16(23)13(9-22)26-19/h4-7,13,16-19,22-25H,3,8-9H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1
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| InChIKey |
YFVFERGZEHBXRN-LQDZTQBFSA-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