General Information of the Compound
| Compound ID |
CP0896991
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| Compound Name |
endo-3-[(Hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-[6-(N,N,Ntrimethylamino)hexyl]-8-azabicyclo[3.2.1]octan-8-ium bromide
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| Structure |
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| Formula |
C26H44Br2N2O3
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| Molecular Weight |
592.457
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| Canonical SMILES |
C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-].[Br-]
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| InChI |
InChI=1S/C26H44N2O3.2BrH/c1-27(2,3)16-10-5-6-11-17-28(4)22-14-15-23(28)19-24(18-22)31-26(30)25(20-29)21-12-8-7-9-13-21;;/h7-9,12-13,22-25,29H,5-6,10-11,14-20H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24?,25?,28?;;/m1../s1
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| InChIKey |
ICRSQYVYVJRSAL-BVWCDWRQSA-L
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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: PT01516, Muscarinic acetylcholine receptor M5