General Information of the Compound
| Compound ID |
CP0942104
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| Compound Name |
3-Ethoxycarbonyl-4-ethyl-5-ethylsulfanylcarbonyl-1,6-dimethyl-2-phenyl-pyridinium iodide
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| Structure |
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| Formula |
C21H26INO3S
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| Molecular Weight |
499.414
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| Canonical SMILES |
CCOC(=O)c1c(CC)c(C(=O)SCC)c(C)[n+](C)c1-c1ccccc1.[I-]
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| InChI |
InChI=1S/C21H26NO3S.HI/c1-6-16-17(21(24)26-8-3)14(4)22(5)19(15-12-10-9-11-13-15)18(16)20(23)25-7-2;/h9-13H,6-8H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
VZZIKIVIAXAUQK-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