General Information of the Compound
| Compound ID |
CP0525093
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| Compound Name |
(1,1-dimethylpiperidin-1-ium-4-yl) 2-piperidin-1-yl-2-thiophen-2-ylpropanoate
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| Structure |
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| Formula |
C19H31N2O2S+
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| Molecular Weight |
351.536
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| Canonical SMILES |
CC(N1CCCCC1)(C(=O)OC1CC[N+](C)(C)CC1)c1cccs1
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| InChI |
InChI=1S/C19H31N2O2S/c1-19(17-8-7-15-24-17,20-11-5-4-6-12-20)18(22)23-16-9-13-21(2,3)14-10-16/h7-8,15-16H,4-6,9-14H2,1-3H3/q+1
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| InChIKey |
JHSINHUWGNKNKA-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