General Information of the Compound
| Compound ID |
CP0891721
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| Compound Name |
(R)-3-(butyl(phenyl)carbamoyloxy)-1-(3-(thiophen-2-yl)propyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C25H35BrN2O2S
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| Molecular Weight |
507.538
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| Canonical SMILES |
CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C25H35N2O2S.BrH/c1-2-3-15-26(22-9-5-4-6-10-22)25(28)29-24-20-27(17-13-21(24)14-18-27)16-7-11-23-12-8-19-30-23;/h4-6,8-10,12,19,21,24H,2-3,7,11,13-18,20H2,1H3;1H/q+1;/p-1/t21?,24-,27?;/m0./s1
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| InChIKey |
FHESLQGDLROIOJ-SSVLGJNASA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3