General Information of the Compound
| Compound ID |
CP0459335
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-2-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H24O6S
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| Molecular Weight |
416.495
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| Canonical SMILES |
COc1ccc(Cc2cc3ccccc3s2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H24O6S/c1-27-16-7-6-12(8-14-10-13-4-2-3-5-18(13)29-14)9-15(16)22-21(26)20(25)19(24)17(11-23)28-22/h2-7,9-10,17,19-26H,8,11H2,1H3/t17-,19-,20+,21-,22+/m1/s1
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| InChIKey |
JTHFSYKZPUVOKH-VOFPXKNKSA-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