General Information of the Compound
| Compound ID |
CP0524597
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| Compound Name |
2-fluoro-2-[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-methoxypropyl]propanedioic acid
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| Structure |
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| Formula |
C23H39FO7
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| Molecular Weight |
446.556
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| Canonical SMILES |
CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CC(F)(C(O)=O)C(O)=O)OC
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| InChI |
InChI=1S/C23H39FO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)31-18-19(30-2)17-23(24,21(26)27)22(28)29/h8-9,19H,3-7,10-18H2,1-2H3,(H,26,27)(H,28,29)/b9-8-/t19-/m0/s1
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| InChIKey |
LVBNGOSRIOTEDK-QWUACUGRSA-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