General Information of the Compound
| Compound ID |
CP0005885
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| Compound Name |
3-[4-[3-(3-fluoropropoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C18H23FN4O
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| Molecular Weight |
330.407
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| Canonical SMILES |
FCCCOc1cccc(c1)-c1cn(nn1)C1CN2CCC1CC2
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| InChI |
InChI=1S/C18H23FN4O/c19-7-2-10-24-16-4-1-3-15(11-16)17-12-23(21-20-17)18-13-22-8-5-14(18)6-9-22/h1,3-4,11-12,14,18H,2,5-10,13H2
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| InChIKey |
GGPOGZSZLWNUEK-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