General Information of the Compound
| Compound ID |
CP0845729
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| Compound Name |
2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-pyridinium iodide
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| Structure |
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| Formula |
C24H32INO3S
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| Molecular Weight |
541.495
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| Canonical SMILES |
CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C.[I-]
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| InChI |
InChI=1S/C24H32NO3S.HI/c1-6-10-16-19-20(24(27)29-9-4)18(7-2)21(23(26)28-8-3)22(25(19)5)17-14-12-11-13-15-17;/h11-15H,6-10,16H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
ZLFAIDPVWXZEEP-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