General Information of the Compound
| Compound ID |
CP0472768
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| Compound Name |
trimethyl-[[(2R,5R)-5-(4-phenylsulfanylphenyl)-1,4-dioxan-2-yl]methyl]azanium;iodide
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| Structure |
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| Formula |
C20H26INO2S
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| Molecular Weight |
471.404
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| Canonical SMILES |
[I-].C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(Sc2ccccc2)cc1
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| InChI |
InChI=1S/C20H26NO2S.HI/c1-21(2,3)13-17-14-23-20(15-22-17)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18;/h4-12,17,20H,13-15H2,1-3H3;1H/q+1;/p-1/t17-,20+;/m1./s1
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| InChIKey |
AQJOCKZWSDAGCY-XLCHORMMSA-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