General Information of the Compound
| Compound ID |
CP0462649
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| Compound Name |
(3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C18H22BrNO3S2
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| Molecular Weight |
444.416
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| Canonical SMILES |
[Br-].C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C18H22NO3S2.BrH/c1-19-8-6-13(7-9-19)14(12-19)22-17(20)18(21,15-4-2-10-23-15)16-5-3-11-24-16;/h2-5,10-11,13-14,21H,6-9,12H2,1H3;1H/q+1;/p-1/t13?,14-,19?;/m0./s1
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| InChIKey |
LLORSFIKGQRFSL-QQEZHUOCSA-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