General Information of the Compound
| Compound ID |
CP0962365
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| Compound Name |
3-((2-tert-butylphenoxy)methyl)benzoic acid
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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(C)(C)c1ccccc1OCc1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C18H20O3/c1-18(2,3)15-9-4-5-10-16(15)21-12-13-7-6-8-14(11-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
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| InChIKey |
RXSHXHYIXANQDM-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