General Information of the Compound
| Compound ID |
CP0553046
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| Compound Name |
1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-ditert-butylbenzene
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| Structure |
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| Formula |
C24H42O6P2
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| Molecular Weight |
488.542
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| Canonical SMILES |
CCOP(=O)(OCC)C(=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
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| InChI |
InChI=1S/C24H42O6P2/c1-11-27-31(25,28-12-2)22(32(26,29-13-3)30-14-4)17-19-15-20(23(5,6)7)18-21(16-19)24(8,9)10/h15-18H,11-14H2,1-10H3
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| InChIKey |
XVMWELNRLBAKPF-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