General Information of the Compound
| Compound ID |
CP0452326
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| Compound Name |
(2R,3R)-3-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]butane-1,2,4-triol
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| Structure |
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| Formula |
C29H44O6
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| Molecular Weight |
488.665
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| Canonical SMILES |
CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@H](CO)[C@H](O)CO)c(C)c1
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| InChI |
InChI=1S/C29H44O6/c1-8-29(9-2,21-10-12-24(19(3)14-21)34-18-27(33)28(5,6)7)22-11-13-25(20(4)15-22)35-26(17-31)23(32)16-30/h10-15,23,26-27,30-33H,8-9,16-18H2,1-7H3/t23-,26-,27+/m1/s1
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| InChIKey |
TZIHYDHQTTVVKQ-MVNQZMKCSA-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