General Information of the Compound
| Compound ID |
CP0511457
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| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-phenethylphenyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C20H24O5
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| Molecular Weight |
344.407
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(CCc2ccccc2)c1
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| InChI |
InChI=1S/C20H24O5/c21-12-16-17(22)18(23)19(24)20(25-16)15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11,16-24H,9-10,12H2/t16-,17-,18+,19-,20+/m1/s1
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| InChIKey |
RBJBRHIXKVMRFX-OBKDMQGPSA-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