General Information of the Compound
| Compound ID |
CP0391928
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| Compound Name |
[(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-lambda5-phosphane
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| Synonyms |
9-Dodecen-1-ol, dihydrogen phosphorothioate
BDBM50170847
CHEMBL190484
SCHEMBL193155
Thiophosphoric acid (E)-dodec-9-enyl ester
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| Structure |
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| Formula |
C12H25O3PS
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| Molecular Weight |
280.37
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| Canonical SMILES |
CC\C=C\CCCCCCCCOP(O)(O)=S
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| InChI |
InChI=1S/C12H25O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h3-4H,2,5-12H2,1H3,(H2,13,14,17)/b4-3+
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| InChIKey |
WIHXFYRABDDREX-ONEGZZNKSA-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: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT02824, Lysophosphatidic acid receptor 3
Clinical Information about the Compound