General Information of the Compound
| Compound ID |
CP0462098
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| Compound Name |
(2S,3R,4R,5R)-2-[4-chloro-3-[(3-methoxyphenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C20H23ClO6
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| Molecular Weight |
394.851
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| Canonical SMILES |
COc1cccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c1
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| InChI |
InChI=1S/C20H23ClO6/c1-26-14-4-2-3-11(8-14)7-13-9-12(5-6-15(13)21)19-17(24)18(25)20(27-19)16(23)10-22/h2-6,8-9,16-20,22-25H,7,10H2,1H3/t16-,17-,18-,19+,20-/m1/s1
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| InChIKey |
JTGQGCFLKZXMLJ-LTFPLMDUSA-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