General Information of the Compound
| Compound ID |
CP0540885
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| Compound Name |
[(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;bromide
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| Structure |
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| Formula |
C30H34BrNO3
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| Molecular Weight |
536.51
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| Canonical SMILES |
[Br-].OC(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H34NO3.BrH/c32-29(30(33,26-14-6-2-7-15-26)27-16-8-3-9-17-27)34-28-23-31(21-18-25(28)19-22-31)20-10-13-24-11-4-1-5-12-24;/h1-9,11-12,14-17,25,28,33H,10,13,18-23H2;1H/q+1;/p-1/t25?,28-,31?;/m0./s1
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| InChIKey |
PVJQAZLKFFFUBU-GSEXTUOBSA-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