General Information of the Compound
| Compound ID |
CP0822547
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| Compound Name |
2-(2,2-diphenylacetoxy)-N,N-diethyl-Nmethylethanaminiumbromide
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| Structure |
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| Formula |
C21H28BrNO2
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| Molecular Weight |
406.364
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| Canonical SMILES |
CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C21H28NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
WMUOPJLADBOCIX-UHFFFAOYSA-M
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| CAS |
6113-04-8
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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: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4