General Information of the Compound
Compound ID
CP0390602
Compound Name
tetradecylphosphonic acid
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Synonyms
1-Tetradecanephosphonic acid
1-Tetradecylphosphonic Acid
14
4-04-00-03566 (Beilstein Handbook Reference)
4671-75-4
AC1L2V5G
BRN 1784271
C14H31O3P
CHEMBL190999
CTK3J7960
DTXSID7063550
EINECS 225-118-1
P-tetradecyl-Phosphonic acid
Phosphonic acid, P-tetradecyl-
Phosphonic acid, tetradecyl-
SCHEMBL19906
Tetradecanephosphonic acid
Tetradecyl phosphonic acid
Tetradecyl-phosphonic acid
Tetradecylphosphonic acid
Tetradecylphosphonic acid, 97%
n-Tetradecylphosphonic acid
tetradecylphosphonate
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Structure
Formula
C14H31O3P
Molecular Weight
278.373
Canonical SMILES
CCCCCCCCCCCCCCP(O)(O)=O
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InChI
InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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InChIKey
BVQJQTMSTANITJ-UHFFFAOYSA-N
CAS
4671-75-4
Physicochemical Property
logP
4.8652
Rotatable Bonds
13
Heavy Atom Count
18
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 78401
SID: 16474186
ChEMBL ID
CHEMBL190999
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 ~ 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04536, Lysophosphatidic acid receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777
 Cell Line Info 
Rattus norvegicus (Rat)  2
1
IC50 = 5500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 3550 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02824, Lysophosphatidic acid receptor 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777
 Cell Line Info 
Rattus norvegicus (Rat)  2
1
IC50 = 3100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 1120 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Tetradecyl-phosphonic acid )
Drug Name Tetradecyl-phosphonic acid
Target(s)
Lysophosphatidic acid receptor 1 (LPAR1)
 Target Info 
Inhibitor