General Information of the Compound
| Compound ID |
CP0903846
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| Compound Name |
(R)-3-(butyl(phenyl)carbamoyloxy)-1-phenethyl-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C26H35BrN2O2
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| Molecular Weight |
487.482
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| Canonical SMILES |
CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C26H35N2O2.BrH/c1-2-3-17-27(24-12-8-5-9-13-24)26(29)30-25-21-28(19-15-23(25)16-20-28)18-14-22-10-6-4-7-11-22;/h4-13,23,25H,2-3,14-21H2,1H3;1H/q+1;/p-1/t23?,25-,28?;/m0./s1
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| InChIKey |
DDOSKJZAVXHTNA-SUPQUVAKSA-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