General Information of the Compound
| Compound ID |
CP0943581
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| Compound Name |
2,4-Diethyl-3-ethylsulfanylcarbonyl-5-(2-fluoro-ethoxycarbonyl)-1-methyl-6-phenyl-pyridinium iodide
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| Structure |
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| Formula |
C22H27FINO3S
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| Molecular Weight |
531.431
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| Canonical SMILES |
CCSC(=O)c1c(CC)c(C(=O)OCCF)c(-c2ccccc2)[n+](C)c1CC.[I-]
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| InChI |
InChI=1S/C22H27FNO3S.HI/c1-5-16-18(22(26)28-7-3)17(6-2)24(4)20(15-11-9-8-10-12-15)19(16)21(25)27-14-13-23;/h8-12H,5-7,13-14H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
HMYPTWQHFKTZKS-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