General Information of the Compound
| Compound ID |
CP0494301
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| Compound Name |
(2S,3R,4R,5S)-2-(4-Chloro-3-(4-ethoxyphenoxy)phenyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C20H23ClO7
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| Molecular Weight |
410.85
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| Canonical SMILES |
CCOc1ccc(Oc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C20H23ClO7/c1-3-26-12-5-7-13(8-6-12)27-15-10-11(4-9-14(15)21)19-17(23)16(22)18(24)20(25-2)28-19/h4-10,16-20,22-24H,3H2,1-2H3/t16-,17-,18+,19+,20?/m1/s1
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| InChIKey |
ZZWKQTNFWCJGDA-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