General Information of the Compound
| Compound ID |
CP0464769
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[(E)-phenylmethoxyiminomethyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C28H30ClNO6
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| Molecular Weight |
512.002
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C28H30ClNO6/c1-2-34-22-11-8-18(9-12-22)14-21-15-20(10-13-23(21)29)28-27(33)26(32)25(31)24(36-28)16-30-35-17-19-6-4-3-5-7-19/h3-13,15-16,24-28,31-33H,2,14,17H2,1H3/b30-16+/t24-,25-,26+,27-,28+/m1/s1
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| InChIKey |
FIAVMDJZHAIJCA-PIGHTIOVSA-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