General Information of the Compound
| Compound ID |
CP0957638
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| Compound Name |
2-(3-Ethoxyphenyl)-N,N,N-trimethylethan-1-aminium formate
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| Structure |
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| Formula |
C14H23NO3
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| Molecular Weight |
253.342
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| Canonical SMILES |
CCOc1cccc(CC[N+](C)(C)C)c1.O=C[O-]
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| InChI |
InChI=1S/C13H22NO.CH2O2/c1-5-15-13-8-6-7-12(11-13)9-10-14(2,3)4;2-1-3/h6-8,11H,5,9-10H2,1-4H3;1H,(H,2,3)/q+1;/p-1
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| InChIKey |
XACHRNHFPGETBF-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