General Information of the Compound
| Compound ID |
CP0492607
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| Compound Name |
(1,1-dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-thiomorpholin-4-ylpropanoate
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| Structure |
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| Formula |
C20H31N2O2S+
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| Molecular Weight |
363.547
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| Canonical SMILES |
CC(N1CCSCC1)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1
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| InChI |
InChI=1S/C20H31N2O2S/c1-20(17-7-5-4-6-8-17,21-11-15-25-16-12-21)19(23)24-18-9-13-22(2,3)14-10-18/h4-8,18H,9-16H2,1-3H3/q+1
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| InChIKey |
ZMXYDUSRRWUQKE-UHFFFAOYSA-N
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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