General Information of the Compound
| Compound ID |
CP0430170
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| Compound Name |
(2S,3R,4R,5S)-2-(3-(4-Ethoxybenzyl)-4-methylphenyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H28O6
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| Molecular Weight |
388.46
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2C)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C22H28O6/c1-4-27-17-9-6-14(7-10-17)11-16-12-15(8-5-13(16)2)21-19(24)18(23)20(25)22(26-3)28-21/h5-10,12,18-25H,4,11H2,1-3H3/t18-,19-,20+,21+,22?/m1/s1
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| InChIKey |
SMYUUGPPHGGHTK-RPKDUVEISA-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