General Information of the Compound
| Compound ID |
CP0536985
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[(E)-cyclopropylmethoxyiminomethyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C25H30ClNO6
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| Molecular Weight |
475.969
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\OCC3CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C25H30ClNO6/c1-2-31-19-8-5-15(6-9-19)11-18-12-17(7-10-20(18)26)25-24(30)23(29)22(28)21(33-25)13-27-32-14-16-3-4-16/h5-10,12-13,16,21-25,28-30H,2-4,11,14H2,1H3/b27-13+/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
FWIBVRVAQMRAHT-KDUVOJEOSA-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