General Information of the Compound
| Compound ID |
CP0428906
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-hydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H22O6S
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| Molecular Weight |
402.468
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(Cc2cc3ccccc3s2)c1
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| InChI |
InChI=1S/C21H22O6S/c22-10-16-18(24)19(25)20(26)21(27-16)12-5-6-15(23)13(7-12)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
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| InChIKey |
OUCOPKDDUPMZKH-RQXATKFSSA-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