General Information of the Compound
| Compound ID |
CP0895136
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| Compound Name |
Trans-((2R*,6R*)-6-Benzhydryl-1,4-dioxan-2-yl)-N,N,N-trimethylmethanaminium Iodide
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| Structure |
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| Formula |
C21H28INO2
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| Molecular Weight |
453.364
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| Canonical SMILES |
C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1.[I-]
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| InChI |
InChI=1S/C21H28NO2.HI/c1-22(2,3)14-19-15-23-16-20(24-19)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18;/h4-13,19-21H,14-16H2,1-3H3;1H/q+1;/p-1/t19-,20+;/m1./s1
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| InChIKey |
JHYPVNXUOIYEEE-FDOHDBATSA-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