General Information of the Compound
| Compound ID |
CP0553047
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| Compound Name |
4-[2,2-bis(diethoxyphosphoryl)ethyl]-2,6-ditert-butylphenol
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| Structure |
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| Formula |
C24H44O7P2
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| Molecular Weight |
506.557
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
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| InChI |
InChI=1S/C24H44O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-16,21,25H,11-14,17H2,1-10H3
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| InChIKey |
UDBUKRGXKGQDQR-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