General Information of the Compound
| Compound ID |
CP0428915
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| Compound Name |
(2S,3R,4R,5S)-2-[4-Chloro-3-(4-ethoxy-benzyl)-phenyl]-6-ethoxy-tetrahydro-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H27ClO6
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| Molecular Weight |
422.905
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| Canonical SMILES |
CCOC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCC)cc2)c1
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| InChI |
InChI=1S/C22H27ClO6/c1-3-27-16-8-5-13(6-9-16)11-15-12-14(7-10-17(15)23)21-19(25)18(24)20(26)22(29-21)28-4-2/h5-10,12,18-22,24-26H,3-4,11H2,1-2H3/t18-,19-,20+,21+,22?/m1/s1
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| InChIKey |
OJECUDIXZNSYFI-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