General Information of the Compound
Compound ID
CP0374600
Compound Name
decylphosphonic acid
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Synonyms
1-DECYLPHOSPHONIC ACID
1-Decanephosphonic acid
1-decanephosphonicacid
10
4-04-00-03564 (Beilstein Handbook Reference)
6874-60-8
AC1Q6RQ2
ACMC-1CUHV
AI3-23065
BRN 1771572
C10H23O3P
CHEMBL188083
DZQISOJKASMITI-UHFFFAOYSA-N
Decanephosphonic acid
Decyl-phosphonic acid
Decylphosphonic acid
Decylphosphonic acid, 97%
DecylphosphonicAcid
EINECS 229-975-2
NSC 407850
Phosphonic acid, P-decyl-
Phosphonic acid, decyl-
Phosphonic acid,P-decyl-
SCHEMBL110008
n-Decanephosphonic acid
n-Decylphosphonic acid
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Structure
Formula
C10H23O3P
Molecular Weight
222.265
Canonical SMILES
CCCCCCCCCCP(O)(O)=O
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InChI
InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
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InChIKey
DZQISOJKASMITI-UHFFFAOYSA-N
CAS
6874-60-8
Physicochemical Property
logP
3.3048
Rotatable Bonds
9
Heavy Atom Count
14
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 88299705
SID: 49852509
ChEMBL ID
CHEMBL188083
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
CL000466 McA-RH7777 Rattus norvegicus (Rat)  2
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS
2
Ki = 680 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Decyl-phosphonic acid )
Drug Name Decyl-phosphonic acid
Target(s)
Lysophosphatidic acid receptor 1 (LPAR1)
Inhibitor