General Information of the Compound
| Compound ID |
CP0859477
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| Compound Name |
(6,6-Dimethyl-1,4-dioxan-2-yl)-N,N,N-trimethylmethanaminium iodide
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| Structure |
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| Formula |
C10H22INO2
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| Molecular Weight |
315.195
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| Canonical SMILES |
CC1(C)COC[C@@H](C[N+](C)(C)C)O1.[I-]
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| InChI |
InChI=1S/C10H22NO2.HI/c1-10(2)8-12-7-9(13-10)6-11(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1/t9-;/m1./s1
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| InChIKey |
YYKQDBAAANMOGS-SBSPUUFOSA-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