General Information of the Compound
| Compound ID |
CP0373251
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| Compound Name |
[2-(hexadecanoylamino)-3-(4-phenylmethoxyphenyl)propyl] dihydrogen phosphate
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| Structure |
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| Formula |
C32H50NO6P
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| Molecular Weight |
575.727
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C32H50NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-32(34)33-30(27-39-40(35,36)37)25-28-21-23-31(24-22-28)38-26-29-18-15-14-16-19-29/h14-16,18-19,21-24,30H,2-13,17,20,25-27H2,1H3,(H,33,34)(H2,35,36,37)
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| InChIKey |
ITPYKLVUHMGBBT-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: PT02824, Lysophosphatidic acid receptor 3