General Information of the Compound
| Compound ID |
CP0245576
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| Compound Name |
2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-malonic acid diisopropyl ester
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| Structure |
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| Formula |
C25H30F4O10P2
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| Molecular Weight |
628.445
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| Canonical SMILES |
CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C
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| InChI |
InChI=1S/C25H30F4O10P2/c1-15(2)38-21(30)23(22(31)39-16(3)4,13-17-5-9-19(10-6-17)24(26,27)40(32,33)34)14-18-7-11-20(12-8-18)25(28,29)41(35,36)37/h5-12,15-16H,13-14H2,1-4H3,(H2,32,33,34)(H2,35,36,37)
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| InChIKey |
SXNCVBDHXJTVDZ-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