General Information of the Compound
| Compound ID |
CP0915199
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| Compound Name |
(E)-(4-(4-(3,5-dimethoxystyryl)phenoxy)butyl)triphenylphosphonium iodide
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| Structure |
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| Formula |
C38H38IO3P
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| Molecular Weight |
700.597
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| Canonical SMILES |
COc1cc(/C=C/c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(OC)c1.[I-]
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| InChI |
InChI=1S/C38H38O3P.HI/c1-39-34-28-32(29-35(30-34)40-2)21-20-31-22-24-33(25-23-31)41-26-12-13-27-42(36-14-6-3-7-15-36,37-16-8-4-9-17-37)38-18-10-5-11-19-38;/h3-11,14-25,28-30H,12-13,26-27H2,1-2H3;1H/q+1;/p-1/b21-20+;
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| InChIKey |
PKZQPSOKNDPKAZ-ANVLNOONSA-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