General Information of the Compound
| Compound ID |
CP0287450
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| Compound Name |
2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-malonic acid benzyl ester methyl ester
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| Structure |
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| Formula |
C27H26F4O10P2
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| Molecular Weight |
648.435
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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)OCc1ccccc1
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| InChI |
InChI=1S/C27H26F4O10P2/c1-40-23(32)25(24(33)41-17-20-5-3-2-4-6-20,15-18-7-11-21(12-8-18)26(28,29)42(34,35)36)16-19-9-13-22(14-10-19)27(30,31)43(37,38)39/h2-14H,15-17H2,1H3,(H2,34,35,36)(H2,37,38,39)
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| InChIKey |
PVVRPRVMELWOLG-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