General Information of the Compound
| Compound ID |
CP0917252
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| Compound Name |
(E)-Octadec-9-enoic acid (R)-4,4-difluoro-2-hydroxy-4-phosphono-butyl ester
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| Structure |
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| Formula |
C22H41F2O6P
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| Molecular Weight |
470.534
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| Canonical SMILES |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CC(F)(F)P(=O)(O)O
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| InChI |
InChI=1S/C22H41F2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)30-19-20(25)18-22(23,24)31(27,28)29/h9-10,20,25H,2-8,11-19H2,1H3,(H2,27,28,29)/b10-9+/t20-/m1/s1
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| InChIKey |
RUIIWUNKQPNYCP-SQUSKLHYSA-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