Structure

InChI Key IHHXIUAEPKVVII-ZSCHJXSPSA-N
Smile CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O
InChI
InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32N2O4
Molecular Weight 352.48
AlogP 3.07
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor FDA Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEMBL CHEMBL1201141
FDA SRS N01ORX9D6S
SureChEMBL SCHEMBL44617