General Information of the Compound
| Compound ID |
CP0946963
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| Compound Name |
2-(3-Chlorophenyl)-N,N,N-trimethylethan-1-aminium formate
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| Structure |
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| Formula |
C12H18ClNO2
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| Molecular Weight |
243.734
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| Canonical SMILES |
C[N+](C)(C)CCc1cccc(Cl)c1.O=C[O-]
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| InChI |
InChI=1S/C11H17ClN.CH2O2/c1-13(2,3)8-7-10-5-4-6-11(12)9-10;2-1-3/h4-6,9H,7-8H2,1-3H3;1H,(H,2,3)/q+1;/p-1
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| InChIKey |
MWNJQUUKDDTEBF-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