General Information of the Compound
| Compound ID |
CP0862114
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| Compound Name |
1,4-Bis-(4-hydroxy-4,4-diphenyl-butyl)-1-methyl-piperazin-1-ium iodide
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| Structure |
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| Formula |
C37H45IN2O2
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| Molecular Weight |
676.683
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| Canonical SMILES |
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1.[I-]
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| InChI |
InChI=1S/C37H45N2O2.HI/c1-39(29-15-25-37(41,34-20-10-4-11-21-34)35-22-12-5-13-23-35)30-27-38(28-31-39)26-14-24-36(40,32-16-6-2-7-17-32)33-18-8-3-9-19-33;/h2-13,16-23,40-41H,14-15,24-31H2,1H3;1H/q+1;/p-1
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| InChIKey |
XENYNIAITLJGFI-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