General Information of the Compound
| Compound ID |
CP0498753
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| Compound Name |
(3S,4R,5R,6S)-6-[4-Chloro-3-(4-ethoxy-benzyl)-phenyl]-tetrahydro-pyran-2,3,4,5-tetraol
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| Structure |
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| Formula |
C20H23ClO6
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| Molecular Weight |
394.851
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(O)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C20H23ClO6/c1-2-26-14-6-3-11(4-7-14)9-13-10-12(5-8-15(13)21)19-17(23)16(22)18(24)20(25)27-19/h3-8,10,16-20,22-25H,2,9H2,1H3/t16-,17-,18+,19+,20?/m1/s1
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| InChIKey |
YZWOETIOLJSKIN-WYGKVCCSSA-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