General Information of the Compound
| Compound ID |
CP0851169
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| Compound Name |
1-(4-hydroxy-4,4-diphenylbutyl)-4-[1-(4-hydroxy-4,4-diphenylbutyl)piperidin-1-ium-4-yl]piperidin-1-ium dichloride
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| Structure |
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| Formula |
C42H54Cl2N2O2
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| Molecular Weight |
689.812
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| Canonical SMILES |
Cl.Cl.OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C42H52N2O2.2ClH/c45-41(37-15-5-1-6-16-37,38-17-7-2-8-18-38)27-13-29-43-31-23-35(24-32-43)36-25-33-44(34-26-36)30-14-28-42(46,39-19-9-3-10-20-39)40-21-11-4-12-22-40;;/h1-12,15-22,35-36,45-46H,13-14,23-34H2;2*1H
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| InChIKey |
VNPBUFXHTACLEO-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