General Information of the Compound
| Compound ID |
CP0419533
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| Compound Name |
2-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]ethanamine
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| Structure |
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| Formula |
C15H12F5NO
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| Molecular Weight |
317.257
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| Canonical SMILES |
NCCc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
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| InChI |
InChI=1S/C15H12F5NO/c16-11-10(12(17)14(19)15(20)13(11)18)7-22-9-3-1-8(2-4-9)5-6-21/h1-4H,5-7,21H2
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| InChIKey |
FTEBFGVQXRIGEG-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1