General Information of the Compound
Compound ID
CP0391903
Compound Name
tetradecyl dihydrogen phosphate
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Synonyms
1-Tetradecanol, dihydrogen phosphate
10054-29-2
69029-24-9
AC1L336V
AC1Q6T1O
BDBM50170842
CHEMBL187633
DF6HW7A5EB
DTXSID1073995
EINECS 233-184-8
Phosphoric acid monotetradecyl ester
Phosphoric acid tetradecyl ester
SCHEMBL375578
Tetradecyl dihydrogen phosphate
UNII-DF6HW7A5EB
myristyl phosphate
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Structure
Formula
C14H31O4P
Molecular Weight
294.372
Canonical SMILES
CCCCCCCCCCCCCCOP(O)(O)=O
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InChI
InChI=1S/C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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InChIKey
KRIXEEBVZRZHOS-UHFFFAOYSA-N
CAS
10054-29-2
Physicochemical Property
logP
4.7968
Rotatable Bonds
14
Heavy Atom Count
19
Polar Areas
66.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 82327
SID: 16253991
ChEMBL ID
CHEMBL187633
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: PT03925, Lysophosphatidic acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  2
1
IC50 = 2300 nM
   TI
   LI
   LO
   TS
2
Ki = 1082 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 = 422 nM
   TI
   LI
   LO
   TS
2
Ki = 211 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Phosphoric acid monotetradecyl ester )
Drug Name Phosphoric acid monotetradecyl ester
Target(s)
Lysophosphatidic acid receptor 1 (LPAR1)
Inhibitor