General Information of the Compound
| Compound ID |
CP0858932
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| Compound Name |
2-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]-1,2,3,4-tetrahydroisoquinoline methiodide
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| Structure |
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| Formula |
C17H21IN2O2
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| Molecular Weight |
412.271
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| Canonical SMILES |
C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1.[I-]
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| InChI |
InChI=1S/C17H21N2O2.HI/c1-19(10-4-5-12-20-17-9-13-21-18-17)11-8-15-6-2-3-7-16(15)14-19;/h2-3,6-7H,8-14H2,1H3;1H/q+1;/p-1
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| InChIKey |
JWMOCQPZPIJACF-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