General Information of the Compound
| Compound ID |
CP0764192
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| Compound Name |
potassium (2-(heptadeca-9,12,15-trienyl)-1,3-dioxolan-4-yl)methyl hydrogenphosphate
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| Structure |
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| Formula |
C21H36KO6P
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| Molecular Weight |
454.585
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| Canonical SMILES |
C/C=C/C/C=C/C/C=C/CCCCCCCCC1OCC(COP(=O)([O-])O)O1.[K+]
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| InChI |
InChI=1S/C21H37O6P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24;/h2-3,5-6,8-9,20-21H,4,7,10-19H2,1H3,(H2,22,23,24);/q;+1/p-1/b3-2+,6-5+,9-8+;
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| InChIKey |
ZJHWIQKBTLTBHF-BJCCUALNSA-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