General Information of the Compound
Compound ID
CP0390546
Compound Name
decyl dihydrogen phosphate
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Synonyms
FAP-10
FAP10
decanol phosphate
decyl dihydrogen phosphate
decyl phosphate
n-decyl phosphoric acid
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Structure
Formula
C10H23O4P
Molecular Weight
238.264
Canonical SMILES
CCCCCCCCCCOP(O)(O)=O
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InChI
InChI=1S/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)
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InChIKey
SCIGVHCNNXTQDB-UHFFFAOYSA-N
Physicochemical Property
logP
3.2364
Rotatable Bonds
10
Heavy Atom Count
15
Polar Areas
66.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 62532
SID: 15464844
ChEMBL ID
CHEMBL361255
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: PT04536, Lysophosphatidic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  1
1
EC50 = 1800 nM
   TI
   LI
   LO
   TS
Protein ID: PT02824, Lysophosphatidic acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  2
1
IC50 = 384 nM
   TI
   LI
   LO
   TS
2
Ki = 121 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( decyl dihydrogen phosphate )
Drug Name decyl dihydrogen phosphate
Target(s)
Lysophosphatidic acid receptor 2 (LPAR2)
Agonist