General Information of the Compound
| Compound ID |
CP0900137
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| Compound Name |
N,N-dimethyl-4-[(5-methylisoxazol-3-yl)oxy]but-2-yn-1-amine methiodide
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| Structure |
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| Formula |
C11H17IN2O2
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| Molecular Weight |
336.173
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| Canonical SMILES |
Cc1cc(OCC#CC[N+](C)(C)C)no1.[I-]
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| InChI |
InChI=1S/C11H17N2O2.HI/c1-10-9-11(12-15-10)14-8-6-5-7-13(2,3)4;/h9H,7-8H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
UQZAVYSUPBKOKC-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