General Information of the Compound
| Compound ID |
CP0379521
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| Compound Name |
(2R,3S,5R)-5-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane 3-oxide;iodide
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| Structure |
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| Formula |
C10H20INO2S
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| Molecular Weight |
345.246
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| Canonical SMILES |
[I-].C[C@@H]1O[C@@H](C[S@@+]1[O-])[C@@H]1CCC[N+]1(C)C
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| InChI |
InChI=1S/C10H20NO2S.HI/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3;/h8-10H,4-7H2,1-3H3;1H/q+1;/p-1/t8-,9+,10+,14+;/m1./s1
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| InChIKey |
PUJOJSPRKCGQLP-BAIKKSGKSA-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