General Information of the Compound
| Compound ID |
CP0012171
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| Compound Name |
(3S)-3-[4-[3-[(4-fluorophenyl)methoxy]phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C22H23FN4O
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| Molecular Weight |
378.451
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| Canonical SMILES |
Fc1ccc(COc2cccc(c2)-c2cn(nn2)[C@@H]2CN3CCC2CC3)cc1
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| InChI |
InChI=1S/C22H23FN4O/c23-19-6-4-16(5-7-19)15-28-20-3-1-2-18(12-20)21-13-27(25-24-21)22-14-26-10-8-17(22)9-11-26/h1-7,12-13,17,22H,8-11,14-15H2/t22-/m1/s1
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| InChIKey |
KBCGDBMDBJDDGG-JOCHJYFZSA-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