General Information of the Compound
| Compound ID |
CP0537616
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| Compound Name |
1-bromo-4-(2-diethoxyphosphoryl-2-phenylethyl)benzene
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| Structure |
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| Formula |
C18H22BrO3P
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| Molecular Weight |
397.249
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(Br)cc1)c1ccccc1
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| InChI |
InChI=1S/C18H22BrO3P/c1-3-21-23(20,22-4-2)18(16-8-6-5-7-9-16)14-15-10-12-17(19)13-11-15/h5-13,18H,3-4,14H2,1-2H3
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| InChIKey |
SVKLYHUGUQKKSU-UHFFFAOYSA-N
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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