General Information of the Compound
| Compound ID |
CP0673820
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| Compound Name |
2-(2,2-diphenylacetoxy)-N,N,N-triethylethanaminiumiodide
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| Structure |
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| Formula |
C22H30INO2
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| Molecular Weight |
467.391
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| Canonical SMILES |
CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[I-]
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| InChI |
InChI=1S/C22H30NO2.HI/c1-4-23(5-2,6-3)17-18-25-22(24)21(19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,21H,4-6,17-18H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
QBMKZMQZHBIKTJ-UHFFFAOYSA-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