General Information of the Compound
| Compound ID |
CP0443657
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| Compound Name |
(2S,3R,4R,5R)-2-[4-chloro-3-[(4-phenoxyphenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C25H25ClO6
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| Molecular Weight |
456.922
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| Canonical SMILES |
OC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@H]1O)c1ccc(Cl)c(Cc2ccc(Oc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C25H25ClO6/c26-20-11-8-16(24-22(29)23(30)25(32-24)21(28)14-27)13-17(20)12-15-6-9-19(10-7-15)31-18-4-2-1-3-5-18/h1-11,13,21-25,27-30H,12,14H2/t21-,22-,23-,24+,25-/m1/s1
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| InChIKey |
OJVXGYNLXQGFNL-UUFXTFJOSA-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