General Information of the Compound
| Compound ID |
CP0649397
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| Compound Name |
hexadecylpyridinium bromide
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| Structure |
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| Formula |
C21H38BrN
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| Molecular Weight |
384.446
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| Canonical SMILES |
CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]
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| InChI |
InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
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| InChIKey |
DVBJBNKEBPCGSY-UHFFFAOYSA-M
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| CAS |
140-72-7
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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
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic