General Information of the Compound
| Compound ID |
CP0151233
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| Compound Name |
2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-malonic acid monomethyl ester
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| Structure |
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| Formula |
C20H20F4O10P2
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| Molecular Weight |
558.31
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| Canonical SMILES |
COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O
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| InChI |
InChI=1S/C20H20F4O10P2/c1-34-17(27)18(16(25)26,10-12-2-6-14(7-3-12)19(21,22)35(28,29)30)11-13-4-8-15(9-5-13)20(23,24)36(31,32)33/h2-9H,10-11H2,1H3,(H,25,26)(H2,28,29,30)(H2,31,32,33)
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| InChIKey |
LZXTZCBHFMWPFD-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