General Information of the Compound
| Compound ID |
CP0517157
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| Compound Name |
1-[4-(3-tert-butyl-4-hydroxyphenoxy)phenyl]ethanone
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| Structure |
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| Formula |
C18H20O3
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| Molecular Weight |
284.355
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| Canonical SMILES |
CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C18H20O3/c1-12(19)13-5-7-14(8-6-13)21-15-9-10-17(20)16(11-15)18(2,3)4/h5-11,20H,1-4H3
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| InChIKey |
WSVZSZVSZTYTCC-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
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT02513, Steroid hormone receptor ERR1