General Information of the Compound
| Compound ID |
CP0873039
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| Compound Name |
5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]isoxazole methiodide
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| Structure |
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| Formula |
C13H19IN2O2
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| Molecular Weight |
362.211
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| Canonical SMILES |
Cc1cc(OCC#CC[N+]2(C)CCCC2)no1.[I-]
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| InChI |
InChI=1S/C13H19N2O2.HI/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15;/h11H,3-4,7-10H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
GLWSGDKTCKSDDJ-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5