General Information of the Compound
| Compound ID |
CP0536116
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-5-[(4-ethoxyphenyl)methyl]-2-hydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H25ClO7
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| Molecular Weight |
424.877
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| Canonical SMILES |
CCOc1ccc(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/C21H25ClO7/c1-2-28-13-5-3-11(4-6-13)7-12-8-14(16(24)9-15(12)22)21-20(27)19(26)18(25)17(10-23)29-21/h3-6,8-9,17-21,23-27H,2,7,10H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
KPBACVLOYZHWFL-ADAARDCZSA-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