General Information of the Compound
| Compound ID |
CP0875550
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| Compound Name |
4-(4-Hydroxy-4,4-diphenyl-butyl)-1,1-dimethyl-piperazin-1-ium iodide
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| Structure |
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| Formula |
C22H31IN2O
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| Molecular Weight |
466.407
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| Canonical SMILES |
C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1.[I-]
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| InChI |
InChI=1S/C22H31N2O.HI/c1-24(2)18-16-23(17-19-24)15-9-14-22(25,20-10-5-3-6-11-20)21-12-7-4-8-13-21;/h3-8,10-13,25H,9,14-19H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
VSOBLNMIFPVGOT-UHFFFAOYSA-M
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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