General Information of the Compound
| Compound ID |
CP0963620
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| Compound Name |
3-((3-methoxy-4-(trifluoromethyl)phenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C16H13F3O4
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| Molecular Weight |
326.27
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| Canonical SMILES |
COc1cc(OCc2cccc(C(=O)O)c2)ccc1C(F)(F)F
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| InChI |
InChI=1S/C16H13F3O4/c1-22-14-8-12(5-6-13(14)16(17,18)19)23-9-10-3-2-4-11(7-10)15(20)21/h2-8H,9H2,1H3,(H,20,21)
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| InChIKey |
DHOCREPGQJMATH-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