General Information of the Compound
| Compound ID |
CP0494750
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| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(3-phenylpropyl)phenyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H26O5
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| Molecular Weight |
358.434
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(CCCc2ccccc2)c1
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| InChI |
InChI=1S/C21H26O5/c22-13-17-18(23)19(24)20(25)21(26-17)16-11-5-10-15(12-16)9-4-8-14-6-2-1-3-7-14/h1-3,5-7,10-12,17-25H,4,8-9,13H2/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
QYVNSTSXNUDJKQ-ADAARDCZSA-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