General Information of the Compound
| Compound ID |
CP0421654
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| Compound Name |
[1-[3-(3-methylphenyl)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;bromide
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| Structure |
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| Formula |
C31H36BrNO3
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| Molecular Weight |
550.537
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| Canonical SMILES |
[Br-].Cc1cccc(CCC[N+]23CCC(CC2)C(C3)OC(=O)C(O)(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C31H36NO3.BrH/c1-24-10-8-11-25(22-24)12-9-19-32-20-17-26(18-21-32)29(23-32)35-30(33)31(34,27-13-4-2-5-14-27)28-15-6-3-7-16-28;/h2-8,10-11,13-16,22,26,29,34H,9,12,17-21,23H2,1H3;1H/q+1;/p-1
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| InChIKey |
DBMIGIHWSJMLIC-UHFFFAOYSA-M
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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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3