General Information of the Compound
| Compound ID |
CP0957392
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| Compound Name |
3-((4-(trifluoromethyl)phenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C15H11F3O3
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| Molecular Weight |
296.244
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C15H11F3O3/c16-15(17,18)12-4-6-13(7-5-12)21-9-10-2-1-3-11(8-10)14(19)20/h1-8H,9H2,(H,19,20)
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| InChIKey |
RXRVPNVHIOZAKC-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