ASPIRIN DL-LYSINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII 2JJ274J145
EPA CompTox DTXSID50886518

Structure

InChI Key JJBCTCGUOQYZHK-UHFFFAOYSA-N
Smiles CC(=O)Oc1ccccc1C(=O)O.NCCCCC(N)C(=O)O
InChI
InChI=1S/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22N2O6
Molecular Weight 326.35
AlogP 1.31
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 63.6
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 81.9-85.4

Cross References

Resources Reference
ChEMBL CHEMBL1697753
FDA SRS 2JJ274J145
PubChem 44219
SureChEMBL SCHEMBL25877
CONTENTS