General Information of the Compound
| Compound ID |
CP0656066
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| Compound Name |
potassium (2-(6-(4-octylphenyl)hexyl)-1,3-dioxolan-4-yl)methyl hydrogenphosphate
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| Structure |
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| Formula |
C24H40KO6P
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| Molecular Weight |
494.65
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| Canonical SMILES |
CCCCCCCCc1ccc(CCCCCCC2OCC(COP(=O)([O-])O)O2)cc1.[K+]
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| InChI |
InChI=1S/C24H41O6P.K/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27;/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27);/q;+1/p-1
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| InChIKey |
UUBLVPAFODDZAX-UHFFFAOYSA-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: PT06140, Lysophosphatidic acid receptor 3