General Information of the Compound
| Compound ID |
CP0263427
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| Compound Name |
2-(4-Acetylsulfamoyl-benzyl)-2-[4-(difluoro-phosphono-methyl)-benzyl]-malonic acid dibenzyl ester
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| Structure |
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| Formula |
C34H32F2NO10PS
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| Molecular Weight |
715.664
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| Canonical SMILES |
CC(=O)NS(=O)(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1
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| InChI |
InChI=1S/C34H32F2NO10PS/c1-24(38)37-49(44,45)30-18-14-26(15-19-30)21-33(31(39)46-22-27-8-4-2-5-9-27,32(40)47-23-28-10-6-3-7-11-28)20-25-12-16-29(17-13-25)34(35,36)48(41,42)43/h2-19H,20-23H2,1H3,(H,37,38)(H2,41,42,43)
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| InChIKey |
SXFIPURNTUMNDL-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