General Information of the Compound
Compound ID
CP0911790
Compound Name
Sodium 5-hydroxylaurate
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Structure
Formula
C12H23NaO3
Molecular Weight
238.303
Canonical SMILES
CCCCCCCC(O)CCCC(=O)[O-].[Na+]
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InChI
InChI=1S/C12H24O3.Na/c1-2-3-4-5-6-8-11(13)9-7-10-12(14)15;/h11,13H,2-10H2,1H3,(H,14,15);/q;+1/p-1
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InChIKey
JXKITCMSFKBCAI-UHFFFAOYSA-M
Physicochemical Property
logP
-1.368
Rotatable Bonds
10
Heavy Atom Count
16
Polar Areas
60.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 102338889
ChEMBL ID
CHEMBL4294243
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS