General Information of the Compound
| Compound ID |
CP0885348
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| Compound Name |
(3S)-1-bromo-4-((Z)-hexadec-9-enoyloxy)-3-hydroxybutylphosphonic acid
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| Structure |
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| Formula |
C20H38BrO6P
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| Molecular Weight |
485.396
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| Canonical SMILES |
CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CC(Br)P(=O)(O)O
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| InChI |
InChI=1S/C20H38BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h7-8,18-19,22H,2-6,9-17H2,1H3,(H2,24,25,26)/b8-7-/t18-,19?/m0/s1
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| InChIKey |
ZHWWGWUYVZSXFU-RNTRHVQYSA-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
Protein ID: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT02824, Lysophosphatidic acid receptor 3
Protein ID: PT05640, Lysophosphatidic acid receptor 4