General Information of the Compound
| Compound ID |
CP0862120
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| Compound Name |
1-(4-hydroxy-4,4-diphenylbutyl)-4-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium dichloride
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| Structure |
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| Formula |
C27H40Cl2N2O
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| Molecular Weight |
479.536
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| Canonical SMILES |
CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1.Cl.Cl
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| InChI |
InChI=1S/C27H38N2O.2ClH/c1-28-19-13-23(14-20-28)24-15-21-29(22-16-24)18-8-17-27(30,25-9-4-2-5-10-25)26-11-6-3-7-12-26;;/h2-7,9-12,23-24,30H,8,13-22H2,1H3;2*1H
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| InChIKey |
BTQDJTLGMUWWAS-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