General Information of the Compound
| Compound ID |
CP0557995
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| Compound Name |
4-[(4-ethylphenoxy)methyl]benzoic acid
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| Structure |
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| Formula |
C16H16O3
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| Molecular Weight |
256.301
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| Canonical SMILES |
CCc1ccc(OCc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C16H16O3/c1-2-12-5-9-15(10-6-12)19-11-13-3-7-14(8-4-13)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
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| InChIKey |
IMLWGYVDZQECIP-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta