General Information of the Compound
| Compound ID |
CP0636792
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| Compound Name |
(E)-4-(4-Triethylammoniumbutyloxy)stilbene Iodide
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| Structure |
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| Formula |
C24H34INO
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| Molecular Weight |
479.446
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| Canonical SMILES |
CC[N+](CC)(CC)CCCCOc1ccc(/C=C/c2ccccc2)cc1.[I-]
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| InChI |
InChI=1S/C24H34NO.HI/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22;/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3;1H/q+1;/p-1/b15-14+;
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| InChIKey |
CAKFDDIAFHTZIJ-WPDLWGESSA-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