General Information of the Compound
| Compound ID |
CP0913741
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| Compound Name |
4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-(4-hydroxy-4,4-diphenylbutyl)-1-methylpiperidin-1-ium diiodide
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| Structure |
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| Formula |
C29H44I2N2O
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| Molecular Weight |
690.492
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| Canonical SMILES |
C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1.[I-].[I-]
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| InChI |
InChI=1S/C29H44N2O.2HI/c1-30(2)21-15-25(16-22-30)26-17-23-31(3,24-18-26)20-10-19-29(32,27-11-6-4-7-12-27)28-13-8-5-9-14-28;;/h4-9,11-14,25-26,32H,10,15-24H2,1-3H3;2*1H/q+2;;/p-2
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| InChIKey |
OSKIBTUMPHFWJH-UHFFFAOYSA-L
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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