General Information of the Compound
| Compound ID |
CP0496691
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| Compound Name |
3-benzoyl-4-bromophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
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| Structure |
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| Formula |
C21H21BrN2O3
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| Molecular Weight |
429.314
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| Canonical SMILES |
Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1
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| InChI |
InChI=1S/C21H21BrN2O3/c22-19-7-6-17(14-18(19)20(25)15-4-2-1-3-5-15)27-21(26)24-13-12-23-10-8-16(24)9-11-23/h1-7,14,16H,8-13H2
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| InChIKey |
VVRPKFMCZNMWRF-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: PT02515, Neuronal acetylcholine receptor subunit alpha-3
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7