General Information of the Compound
| Compound ID |
CP0848084
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| Compound Name |
[4-(4-chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium chloride
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| Structure |
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| Formula |
C14H18Cl2N2O2
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| Molecular Weight |
317.216
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| Canonical SMILES |
C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1.[Cl-]
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| InChI |
InChI=1S/C14H17ClN2O2.ClH/c1-17(2,3)10-4-5-11-19-14(18)16-13-8-6-12(15)7-9-13;/h6-9H,10-11H2,1-3H3;1H
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| InChIKey |
VKZKHKWSKAJSKS-UHFFFAOYSA-N
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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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5