General Information of the Compound
| Compound ID |
CP0007224
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| Compound Name |
3-[4-(3-phenylmethoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
C(Oc1cccc(c1)-c1cn(nn1)C1CN2CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C22H24N4O/c1-2-5-17(6-3-1)16-27-20-8-4-7-19(13-20)21-14-26(24-23-21)22-15-25-11-9-18(22)10-12-25/h1-8,13-14,18,22H,9-12,15-16H2
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| InChIKey |
VJEPFPRUUZASOL-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