General Information of the Compound
| Compound ID |
CP0717184
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| Compound Name |
potassium O-((2R,4R)-2-(heptadec-9-enyl)-1,3-dioxolan-4-yl)methyl O-hydrogenphosphorothioate
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| Structure |
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| Formula |
C21H40KO5PS
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| Molecular Weight |
474.685
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| Canonical SMILES |
CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP([O-])(O)=S)O1.[K+]
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| InChI |
InChI=1S/C21H41O5PS.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28;/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28);/q;+1/p-1/b9-8+;/t20-,21-;/m1./s1
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| InChIKey |
GZNAXGFXPWIGJD-XHYZWKIJSA-M
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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
Protein ID: PT04593, Lysophosphatidic acid receptor 1
Protein ID: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT06140, Lysophosphatidic acid receptor 3