General Information of the Compound
| Compound ID |
CP0942122
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| Compound Name |
4-(2-Acetylsulfanyl-ethyl)-2-ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-5-propoxycarbonyl-pyridinium iodide
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| Structure |
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| Formula |
C25H32INO4S2
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| Molecular Weight |
601.572
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| Canonical SMILES |
CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1.[I-]
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| InChI |
InChI=1S/C25H32NO4S2.HI/c1-6-15-30-24(28)22-19(14-16-32-17(4)27)21(25(29)31-8-3)20(7-2)26(5)23(22)18-12-10-9-11-13-18;/h9-13H,6-8,14-16H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
VYQXZNJPPZTQNF-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