General Information of the Compound
| Compound ID |
CP0916859
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| Compound Name |
(R)-3-(benzyl(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 |
C28H33BrN2O2S
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| Molecular Weight |
541.555
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C28H33N2O2S.BrH/c31-28(29(25-11-5-2-6-12-25)21-23-9-3-1-4-10-23)32-27-22-30(18-15-24(27)16-19-30)17-7-13-26-14-8-20-33-26;/h1-6,8-12,14,20,24,27H,7,13,15-19,21-22H2;1H/q+1;/p-1/t24?,27-,30?;/m0./s1
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| InChIKey |
MCGSMQKZGMDZFT-AEDYTTQKSA-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