General Information of the Compound
| Compound ID |
CP0471249
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| Compound Name |
N-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]piperidin-1-yl]ethanamine
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| Structure |
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| Formula |
C17H25F3N2O2
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| Molecular Weight |
346.393
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| Canonical SMILES |
CNCCN1CCC(CC1)OCc1ccc(OCC(F)(F)F)cc1
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| InChI |
InChI=1S/C17H25F3N2O2/c1-21-8-11-22-9-6-16(7-10-22)23-12-14-2-4-15(5-3-14)24-13-17(18,19)20/h2-5,16,21H,6-13H2,1H3
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| InChIKey |
FPMCBNOZDJXPHM-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