General Information of the Compound
| Compound ID |
CP0477944
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[(E)-prop-2-ynoxyiminomethyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H26ClNO6
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| Molecular Weight |
459.926
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\OCC#C)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C24H26ClNO6/c1-3-11-31-26-14-20-21(27)22(28)23(29)24(32-20)16-7-10-19(25)17(13-16)12-15-5-8-18(9-6-15)30-4-2/h1,5-10,13-14,20-24,27-29H,4,11-12H2,2H3/b26-14+/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
BEFIFNAHJKKEPP-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