General Information of the Compound
| Compound ID |
CP0490441
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H22O5S
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| Molecular Weight |
386.469
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2cc3ccccc3s2)c1
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| InChI |
InChI=1S/C21H22O5S/c22-11-16-18(23)19(24)20(25)21(26-16)14-6-3-4-12(8-14)9-15-10-13-5-1-2-7-17(13)27-15/h1-8,10,16,18-25H,9,11H2/t16-,18-,19+,20-,21+/m1/s1
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| InChIKey |
KPFUCAOZNMKWFC-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