General Information of the Compound
| Compound ID |
CP0636793
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| Compound Name |
(E)-4-(8-Triethylammoniumoctyloxy)stilbene Iodide
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| Structure |
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| Formula |
C28H42INO
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| Molecular Weight |
535.554
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| Canonical SMILES |
CC[N+](CC)(CC)CCCCCCCCOc1ccc(/C=C/c2ccccc2)cc1.[I-]
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| InChI |
InChI=1S/C28H42NO.HI/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26;/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3;1H/q+1;/p-1/b19-18+;
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| InChIKey |
JPHZPBLJNRODIE-LTRPLHCISA-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