General Information of the Compound
| Compound ID |
CP0390165
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-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 |
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2Cl)cc1
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| InChI |
InChI=1S/C20H23ClO7/c1-27-12-4-2-10(3-5-12)6-11-7-13(15(23)8-14(11)21)20-19(26)18(25)17(24)16(9-22)28-20/h2-5,7-8,16-20,22-26H,6,9H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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| InChIKey |
ONZHGUMCMVWCPD-OBKDMQGPSA-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