General Information of the Compound
| Compound ID |
CP0489561
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| Compound Name |
(2S,3R,4S)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-methoxytetrahydro-2H-pyran-3,4-diol
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| Structure |
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| Formula |
C21H25ClO5
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| Molecular Weight |
392.879
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(C[C@H](O)[C@H]2O)OC)cc1
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| InChI |
InChI=1S/C21H25ClO5/c1-3-26-16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)22)21-20(24)18(23)12-19(25-2)27-21/h4-9,11,18-21,23-24H,3,10,12H2,1-2H3/t18-,19?,20+,21-/m0/s1
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| InChIKey |
PXKSVTZRXLFMBJ-ISUXGXDNSA-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