General Information of the Compound
| Compound ID |
CP0460435
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| Compound Name |
4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
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| Structure |
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| Formula |
C14H16BrClN2O2
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| Molecular Weight |
359.651
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| Canonical SMILES |
Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br
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| InChI |
InChI=1S/C14H16BrClN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
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| InChIKey |
ABBQLVQJXBDEIM-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