General Information of the Compound
| Compound ID |
CP0509529
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| Compound Name |
(E)-Octadec-9-enoic acid (R)-2,2-difluoro-1-phosphonooxymethyl-ethyl ester
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| Structure |
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| Formula |
C21H39F2O6P
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| Molecular Weight |
456.507
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| Canonical SMILES |
CCCCCCCC\C=C\CCCCCCCC(=O)O[C@H](COP(O)(O)=O)C(F)F
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| InChI |
InChI=1S/C21H39F2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)29-19(21(22)23)18-28-30(25,26)27/h9-10,19,21H,2-8,11-18H2,1H3,(H2,25,26,27)/b10-9+/t19-/m1/s1
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| InChIKey |
FJPWQJDOXYSIEW-JBVUFVISSA-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