General Information of the Compound
| Compound ID |
CP0895086
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| Compound Name |
(R)-3-(phenyl(thiophen-3-ylmethyl)carbamoyloxy)-1-(3-(thiophen-2-yl)propyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C26H31BrN2O2S2
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| Molecular Weight |
547.584
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C26H31N2O2S2.BrH/c29-26(27(18-21-12-17-31-20-21)23-6-2-1-3-7-23)30-25-19-28(14-10-22(25)11-15-28)13-4-8-24-9-5-16-32-24;/h1-3,5-7,9,12,16-17,20,22,25H,4,8,10-11,13-15,18-19H2;1H/q+1;/p-1/t22?,25-,28?;/m0./s1
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| InChIKey |
AJWNYCANTFUYEF-ZZNGFPBBSA-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