General Information of the Compound
| Compound ID |
CP0851961
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| Compound Name |
(3R)-3-[(2,2-Di-2-thienylpropanoyl)oxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C27H32BrNO3S2
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| Molecular Weight |
562.595
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| Canonical SMILES |
CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1.[Br-]
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| InChI |
InChI=1S/C27H32NO3S2.BrH/c1-27(24-10-5-18-32-24,25-11-6-19-33-25)26(29)31-23-20-28(15-12-21(23)13-16-28)14-7-17-30-22-8-3-2-4-9-22;/h2-6,8-11,18-19,21,23H,7,12-17,20H2,1H3;1H/q+1;/p-1/t21?,23-,28?;/m0./s1
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| InChIKey |
SNHZRZADGXRVTE-YSJJPGTISA-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