General Information of the Compound
| Compound ID |
CP0513065
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| Compound Name |
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-methyl-5-[(4-methylphenyl)methyl]thiophen-2-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C19H24O5S
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| Molecular Weight |
364.463
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| Canonical SMILES |
Cc1cc(sc1Cc1ccc(C)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H24O5S/c1-10-3-5-12(6-4-10)8-14-11(2)7-15(25-14)19-18(23)17(22)16(21)13(9-20)24-19/h3-7,13,16-23H,8-9H2,1-2H3/t13-,16-,17+,18-,19+/m1/s1
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| InChIKey |
AQOBORCGEANQJA-SFKBXODTSA-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