General Information of the Compound
| Compound ID |
CP0477996
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| Compound Name |
4-[2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline;iodide
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| Structure |
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| Formula |
C21H29IN2
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| Molecular Weight |
436.381
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| Canonical SMILES |
[I-].CCCCCC[n+]1ccccc1C=Cc1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C21H29N2.HI/c1-4-5-6-8-17-23-18-9-7-10-21(23)16-13-19-11-14-20(15-12-19)22(2)3;/h7,9-16,18H,4-6,8,17H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
GBNFRPGQBKCOMN-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