General Information of the Compound
Compound ID
CP0499085
Compound Name
[(2R)-2-fluoro-3-phosphonooxypropyl] hexadecanoate
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Structure
Formula
C19H38FO6P
Molecular Weight
412.479
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](F)COP(O)(O)=O
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InChI
InChI=1S/C19H38FO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
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InChIKey
PFVWNLWCDVTLPW-GOSISDBHSA-N
Physicochemical Property
logP
5.4583
Rotatable Bonds
19
Heavy Atom Count
27
Polar Areas
93.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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).

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PubChem ID
CID: 10927764
SID: 15978889
ChEMBL ID
CHEMBL192210
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02824, Lysophosphatidic acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS