General Information of the Compound
| Compound ID |
CP0388469
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| Compound Name |
ethyl 2-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenoxy]acetate
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| Structure |
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| Formula |
C23H27ClO8
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| Molecular Weight |
466.914
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| Canonical SMILES |
CCOC(=O)COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C23H27ClO8/c1-2-30-19(26)12-31-16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)24)23-22(29)21(28)20(27)18(11-25)32-23/h3-8,10,18,20-23,25,27-29H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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| InChIKey |
BVRSZCKAHKVBRC-IFPLKCGESA-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