General Information of the Compound
| Compound ID |
CP0851172
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| Compound Name |
4-(4-hydroxy-4,4-diphenylbutyl)piperazine-1,4-diium dichloride
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| Structure |
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| Formula |
C20H28Cl2N2O
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| Molecular Weight |
383.363
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| Canonical SMILES |
Cl.Cl.OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C20H26N2O.2ClH/c23-20(18-8-3-1-4-9-18,19-10-5-2-6-11-19)12-7-15-22-16-13-21-14-17-22;;/h1-6,8-11,21,23H,7,12-17H2;2*1H
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| InChIKey |
JOZKTPSVXOGLJA-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