General Information of the Compound
| Compound ID |
CP0080659
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| Compound Name |
phenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
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| Structure |
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| Formula |
C14H18N2O2
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| Molecular Weight |
246.31
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| Canonical SMILES |
O=C(Oc1ccccc1)N1CCN2CCC1CC2
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| InChI |
InChI=1S/C14H18N2O2/c17-14(18-13-4-2-1-3-5-13)16-11-10-15-8-6-12(16)7-9-15/h1-5,12H,6-11H2
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| InChIKey |
XWTAQEXSIBGWRM-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: PT03697, 5-hydroxytryptamine receptor 3A
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7