General Information of the Compound
| Compound ID |
CP0882938
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| Compound Name |
2-Ethyl-3-(3-fluoro-propylsulfanylcarbonyl)-1-methyl-6-phenyl-5-propoxycarbonyl-4-propyl-pyridinium iodide
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| Structure |
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| Formula |
C25H33FINO3S
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| Molecular Weight |
573.512
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| Canonical SMILES |
CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1.[I-]
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| InChI |
InChI=1S/C25H33FNO3S.HI/c1-5-12-19-21(25(29)31-17-11-15-26)20(7-3)27(4)23(18-13-9-8-10-14-18)22(19)24(28)30-16-6-2;/h8-10,13-14H,5-7,11-12,15-17H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
QGMUENBIVHZKST-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