General Information of the Compound
| Compound ID |
CP0458753
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| Compound Name |
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-methyl-5-[(4-propylphenyl)methyl]thiophen-2-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H28O5S
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| Molecular Weight |
392.517
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| Canonical SMILES |
CCCc1ccc(Cc2sc(cc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C21H28O5S/c1-3-4-13-5-7-14(8-6-13)10-16-12(2)9-17(27-16)21-20(25)19(24)18(23)15(11-22)26-21/h5-9,15,18-25H,3-4,10-11H2,1-2H3/t15-,18-,19+,20-,21+/m1/s1
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| InChIKey |
HDZGUPFVEHRNJD-GRARQNNCSA-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