General Information of the Compound
| Compound ID |
CP0006744
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| Compound Name |
(3S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C15H17FN4
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| Molecular Weight |
272.327
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| Canonical SMILES |
Fc1cccc(c1)-c1cn(nn1)[C@@H]1CN2CCC1CC2
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| InChI |
InChI=1S/C15H17FN4/c16-13-3-1-2-12(8-13)14-9-20(18-17-14)15-10-19-6-4-11(15)5-7-19/h1-3,8-9,11,15H,4-7,10H2/t15-/m1/s1
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| InChIKey |
TZWVPYLQJDFQHL-OAHLLOKOSA-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