General Information of the Compound
| Compound ID |
CP0399044
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| Compound Name |
4-[4-[3-hydroxy-2-methyl-4-(2-methylpropanoyl)phenoxy]butoxy]-3-methylbenzoic acid
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| Structure |
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| Formula |
C23H28O6
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| Molecular Weight |
400.471
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| Canonical SMILES |
CC(C)C(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
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| InChI |
InChI=1S/C23H28O6/c1-14(2)21(24)18-8-10-20(16(4)22(18)25)29-12-6-5-11-28-19-9-7-17(23(26)27)13-15(19)3/h7-10,13-14,25H,5-6,11-12H2,1-4H3,(H,26,27)
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| InChIKey |
ZZNYQOUFLKFQTC-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