General Information of the Compound
| Compound ID |
CP0879643
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| Compound Name |
3-(benzyl-thiophen-2-yl-carbamoyloxy)-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide
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| Formula |
C21H27BrN2O2S
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| Molecular Weight |
451.43
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2.[Br-]
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| InChI |
InChI=1S/C21H27N2O2S.BrH/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(20-9-6-12-26-20)15-16-7-4-3-5-8-16;/h3-9,12,17-19H,10-11,13-15H2,1-2H3;1H/q+1;/p-1/t17-,18+,19-;
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| InChIKey |
ZWMNOSGQCNJQHW-DIXMHULASA-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