General Information of the Compound
| Compound ID |
CP0846167
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| Compound Name |
(R)-1-(2-phenoxyethyl)-3-(phenyl(thiophen-2-ylmethyl)carbamoyloxy)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C27H31BrN2O3S
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| Molecular Weight |
543.527
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C27H31N2O3S.BrH/c30-27(28(20-25-12-7-19-33-25)23-8-3-1-4-9-23)32-26-21-29(15-13-22(26)14-16-29)17-18-31-24-10-5-2-6-11-24;/h1-12,19,22,26H,13-18,20-21H2;1H/q+1;/p-1/t22?,26-,29?;/m0./s1
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| InChIKey |
HSGQPXOPCPJENX-CCOWBORGSA-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