General Information of the Compound
| Compound ID |
CP0967081
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| Compound Name |
(E)-3',5'-Dimethoxy-4-(4-triethylammoniumbutyloxy)stilbene Iodide
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| Structure |
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| Formula |
C26H38INO3
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| Molecular Weight |
539.498
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| Canonical SMILES |
CC[N+](CC)(CC)CCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1.[I-]
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| InChI |
InChI=1S/C26H38NO3.HI/c1-6-27(7-2,8-3)17-9-10-18-30-24-15-13-22(14-16-24)11-12-23-19-25(28-4)21-26(20-23)29-5;/h11-16,19-21H,6-10,17-18H2,1-5H3;1H/q+1;/p-1/b12-11+;
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| InChIKey |
KTDBKCRZBFSZBP-CALJPSDSSA-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