General Information of the Compound
| Compound ID |
CP0382423
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| Compound Name |
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] octanoate
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| Structure |
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| Formula |
C19H37O8P
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| Molecular Weight |
424.471
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| Canonical SMILES |
CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC
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| InChI |
InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
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| InChIKey |
XYSBQYUENLDGMI-QGZVFWFLSA-N
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| CAS |
102731-57-7
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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: PT01786, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Protein ID: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT02824, Lysophosphatidic acid receptor 3