General Information of the Compound
| Compound ID |
CP0473866
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| Compound Name |
naphthalen-2-yl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
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| Structure |
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| Formula |
C18H20N2O2
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| Molecular Weight |
296.37
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| Canonical SMILES |
O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2
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| InChI |
InChI=1S/C18H20N2O2/c21-18(20-12-11-19-9-7-16(20)8-10-19)22-17-6-5-14-3-1-2-4-15(14)13-17/h1-6,13,16H,7-12H2
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| InChIKey |
MQZFLDZRBIKMGM-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
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT02515, Neuronal acetylcholine receptor subunit alpha-3
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7