General Information of the Compound
| Compound ID |
CP0549735
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[(E)-2-methoxyethoxyiminomethyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H30ClNO7
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| Molecular Weight |
479.957
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\OCCOC)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C24H30ClNO7/c1-3-31-18-7-4-15(5-8-18)12-17-13-16(6-9-19(17)25)24-23(29)22(28)21(27)20(33-24)14-26-32-11-10-30-2/h4-9,13-14,20-24,27-29H,3,10-12H2,1-2H3/b26-14+/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
REKILZOPUZLSNK-JQWBMGLHSA-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