General Information of the Compound
| Compound ID |
CP0904238
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| Compound Name |
(E)-1-Cyclooctenyl-N-(4-iodobenzyl)-N,N-dimethylmethanaminium iodide
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| Structure |
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| Formula |
C18H27I2N
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| Molecular Weight |
511.229
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| Canonical SMILES |
C[N+](C)(C/C1=C/CCCCCC1)Cc1ccc(I)cc1.[I-]
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| InChI |
InChI=1S/C18H27IN.HI/c1-20(2,15-17-10-12-18(19)13-11-17)14-16-8-6-4-3-5-7-9-16;/h8,10-13H,3-7,9,14-15H2,1-2H3;1H/q+1;/p-1/b16-8+;
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| InChIKey |
JDFIOGARMQAPQO-OHGISNTKSA-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