General Information of the Compound
| Compound ID |
CP0438023
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| Compound Name |
[1-(5-phenylpentyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;bromide
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| Structure |
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| Formula |
C32H38BrNO3
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| Molecular Weight |
564.564
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| Canonical SMILES |
[Br-].OC(C(=O)OC1C[N+]2(CCCCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H38NO3.BrH/c34-31(32(35,28-16-8-2-9-17-28)29-18-10-3-11-19-29)36-30-25-33(23-20-27(30)21-24-33)22-12-4-7-15-26-13-5-1-6-14-26;/h1-3,5-6,8-11,13-14,16-19,27,30,35H,4,7,12,15,20-25H2;1H/q+1;/p-1
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| InChIKey |
AFFIUYZBOODVTQ-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