General Information of the Compound
Compound ID
CP0390511
Compound Name
dodecyl dihydrogen phosphate
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Synonyms
0K08L8GE2H
12751-23-4
2627-35-2
CHEMBL187711
Dihydrogen monolauryl phosphate
Dodecyl dihydrogen phosphate
EINECS 220-095-4
Lauryl dihydrogen phosphate
Momo-dodecyl phosphate
Mono-n-Dodecyl Phosphate
Monododecyl phosphate
Monolauryl phosphate
NSC 41919
Phosphoric acid monododecyl ester
Phosphoric acid, monododecyl ester
TVACALAUIQMRDF-UHFFFAOYSA-N
UNII-0K08L8GE2H
dodecyl phosphoric acid
dodecylphosphoric acid
mono-Lauryl phosphate
mono-dodecyl phosphate
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Structure
Formula
C12H27O4P
Molecular Weight
266.318
Canonical SMILES
CCCCCCCCCCCCOP(O)(O)=O
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InChI
InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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InChIKey
TVACALAUIQMRDF-UHFFFAOYSA-N
CAS
2627-35-2
Physicochemical Property
logP
4.0166
Rotatable Bonds
12
Heavy Atom Count
17
Polar Areas
66.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 75816
SID: 14750379
ChEMBL ID
CHEMBL187711
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)  2
1
IC50 = 2800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 1354 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)  1
1
EC50 = 3100 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 = 384 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 121 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Phosphoric acid monododecyl ester )
Drug Name Phosphoric acid monododecyl ester
Target(s)
Lysophosphatidic acid receptor 1 (LPAR1)
 Target Info 
Inhibitor