General Information of the Compound
| Compound ID |
CP0378136
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| Compound Name |
(1,1-Difluoro-pentadecyl)-phosphonic acid
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| Synonyms |
(1,1-Difluoro-pentadecyl) Phosphonic Acid
(1,1-Difluoro-pentadecyl)-phosphonic acid
(1,1-Difluoro-pentadecyl)Phosphonic Acid
BDBM50170861
CHEMBL188859
SCHEMBL193245
YGXPAGSHLFJKFV-UHFFFAOYSA-N
ZINC36178965
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| Structure |
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| Formula |
C15H31F2O3P
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| Molecular Weight |
328.38
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| Canonical SMILES |
CCCCCCCCCCCCCCC(F)(F)P(O)(O)=O
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| InChI |
InChI=1S/C15H31F2O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16,17)21(18,19)20/h2-14H2,1H3,(H2,18,19,20)
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| InChIKey |
YGXPAGSHLFJKFV-UHFFFAOYSA-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
Clinical Information about the Compound