General Information of the Compound
| Compound ID |
CP0205894
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| Compound Name |
2-[4-(Difluoro-phosphono-methyl)-benzyl]-2-(4-methanesulfonyl-benzyl)-malonic acid dibenzyl ester
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| Structure |
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| Formula |
C33H31F2O9PS
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| Molecular Weight |
672.639
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| Canonical SMILES |
CS(=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/C33H31F2O9PS/c1-46(41,42)29-18-14-25(15-19-29)21-32(30(36)43-22-26-8-4-2-5-9-26,31(37)44-23-27-10-6-3-7-11-27)20-24-12-16-28(17-13-24)33(34,35)45(38,39)40/h2-19H,20-23H2,1H3,(H2,38,39,40)
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| InChIKey |
XTVJCIYMMNRSNG-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