General Information of the Compound
| Compound ID |
CP0225529
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| Compound Name |
[[4-[(E)-2-benzoyl-2,5-diphenylpent-4-enyl]phenyl]-difluoromethyl]phosphonic acid
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| Structure |
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| Formula |
C31H27F2O4P
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| Molecular Weight |
532.523
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(C(=O)c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C31H27F2O4P/c32-31(33,38(35,36)37)28-20-18-25(19-21-28)23-30(27-16-8-3-9-17-27,29(34)26-14-6-2-7-15-26)22-10-13-24-11-4-1-5-12-24/h1-21H,22-23H2,(H2,35,36,37)/b13-10+
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| InChIKey |
YXZIPKWVAWBGPL-JLHYYAGUSA-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