General Information of the Compound
| Compound ID |
CP0633841
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| Compound Name |
(E)-4-(4-Triphenylphosphoniumbutyloxy)stilbene Iodide
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| Structure |
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| Formula |
C36H34IOP
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| Molecular Weight |
640.545
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| Canonical SMILES |
C(=C/c1ccc(OCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1.[I-]
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| InChI |
InChI=1S/C36H34OP.HI/c1-5-15-31(16-6-1)23-24-32-25-27-33(28-26-32)37-29-13-14-30-38(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36;/h1-12,15-28H,13-14,29-30H2;1H/q+1;/p-1/b24-23+;
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| InChIKey |
IBFRVLYRRRNWFE-XMXXDQCKSA-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