General Information of the Compound
| Compound ID |
CP0875624
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| Compound Name |
Trans-N,N,N-Trimethyl((2R*,6R*)-6-phenyl-1,4-dioxan-2-yl)methanaminium Iodide
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| Structure |
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| Formula |
C14H22INO2
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| Molecular Weight |
363.239
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| Canonical SMILES |
C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1.[I-]
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| InChI |
InChI=1S/C14H22NO2.HI/c1-15(2,3)9-13-10-16-11-14(17-13)12-7-5-4-6-8-12;/h4-8,13-14H,9-11H2,1-3H3;1H/q+1;/p-1/t13-,14+;/m1./s1
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| InChIKey |
RJZHSUUYVXVMCC-DFQHDRSWSA-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