General Information of the Compound
| Compound ID |
CP0851173
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| Compound Name |
1-(4-Hydroxy-4,4-diphenyl-butyl)-1-methyl-4-phenyl-piperazin-1-ium iodide
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| Structure |
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| Formula |
C27H33IN2O
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| Molecular Weight |
528.478
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| Canonical SMILES |
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1.[I-]
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| InChI |
InChI=1S/C27H33N2O.HI/c1-29(22-19-28(20-23-29)26-16-9-4-10-17-26)21-11-18-27(30,24-12-5-2-6-13-24)25-14-7-3-8-15-25;/h2-10,12-17,30H,11,18-23H2,1H3;1H/q+1;/p-1
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| InChIKey |
FJJZUKMINKWTNH-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