General Information of the Compound
| Compound ID |
CP0292182
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| Compound Name |
4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-2,3-diphenyl-propyl}-benzoic acid
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| Structure |
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| Formula |
C30H25F2O6P
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| Molecular Weight |
550.494
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| Canonical SMILES |
OC(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H25F2O6P/c31-30(32,39(36,37)38)26-17-13-22(14-18-26)20-29(25-9-5-2-6-10-25,27(33)23-7-3-1-4-8-23)19-21-11-15-24(16-12-21)28(34)35/h1-18H,19-20H2,(H,34,35)(H2,36,37,38)
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| InChIKey |
NAUCBJQHAWOWPM-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