General Information of the Compound
| Compound ID |
CP0433859
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| Compound Name |
2-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]benzoic acid
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| Structure |
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| Formula |
C24H30O5
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| Molecular Weight |
398.499
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| Canonical SMILES |
CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2C(O)=O)c(C)c1C
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| InChI |
InChI=1S/C24H30O5/c1-16(2)15-21(25)19-11-12-22(18(4)17(19)3)28-13-7-8-14-29-23-10-6-5-9-20(23)24(26)27/h5-6,9-12,16H,7-8,13-15H2,1-4H3,(H,26,27)
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| InChIKey |
OPZYRVOATYJQKL-UHFFFAOYSA-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