General Information of the Compound
| Compound ID |
CP0275477
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| Compound Name |
[[4-[3-[4-[difluoro(phosphono)methyl]phenyl]-2,2-bis(phenylmethoxy)propyl]phenyl]-difluoromethyl]phosphonic acid
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| Structure |
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| Formula |
C31H30F4O8P2
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| Molecular Weight |
668.513
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(OCc2ccccc2)OCc2ccccc2)cc1
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| InChI |
InChI=1S/C31H30F4O8P2/c32-30(33,44(36,37)38)27-15-11-23(12-16-27)19-29(42-21-25-7-3-1-4-8-25,43-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)31(34,35)45(39,40)41/h1-18H,19-22H2,(H2,36,37,38)(H2,39,40,41)
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| InChIKey |
VQTWLHOUTPXSJE-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