General Information of the Compound
| Compound ID |
CP0894054
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| Compound Name |
3-Ethoxycarbonyl-4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridinium iodide
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| Structure |
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| Formula |
C22H28INO3S
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| Molecular Weight |
513.441
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| Canonical SMILES |
CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1.[I-]
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| InChI |
InChI=1S/C22H28NO3S.HI/c1-6-16-18(22(25)27-9-4)17(7-2)23(5)20(15-13-11-10-12-14-15)19(16)21(24)26-8-3;/h10-14H,6-9H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
LQEVFBAPKDLOOH-UHFFFAOYSA-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