General Information of the Compound
| Compound ID |
CP0947435
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| Compound Name |
(E)-Octadec-9-enoic acid (S)-3-fluoro-1-hydroxymethyl-3-phosphono-propyl ester
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| Structure |
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| Formula |
C23H44FO6P
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| Molecular Weight |
466.571
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| Canonical SMILES |
CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC)CC(F)P(=O)(O)O
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| InChI |
InChI=1S/C23H44FO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)30-21(20-29-2)19-22(24)31(26,27)28/h10-11,21-22H,3-9,12-20H2,1-2H3,(H2,26,27,28)/b11-10+/t21-,22?/m0/s1
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| InChIKey |
ZYIGTSSYUUJSBA-VXECIVMWSA-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