General Information of the Compound
| Compound ID |
CP0862116
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| Compound Name |
1,4-bis(4-hydroxy-4,4-diphenylbutyl)piperazine-1,4-diium dichloride
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| Structure |
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| Formula |
C36H44Cl2N2O2
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| Molecular Weight |
607.666
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| Canonical SMILES |
Cl.Cl.OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C36H42N2O2.2ClH/c39-35(31-15-5-1-6-16-31,32-17-7-2-8-18-32)23-13-25-37-27-29-38(30-28-37)26-14-24-36(40,33-19-9-3-10-20-33)34-21-11-4-12-22-34;;/h1-12,15-22,39-40H,13-14,23-30H2;2*1H
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| InChIKey |
ZXONLUAUCNXHRY-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: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5