Structure

InChI Key SXNZJEKZKUJFLV-UHFFFAOYSA-N
Smile Nc1c2c(nc3c1CCCC3)CCCC2.O=C(O)CCC(=O)O
InChI
InChI=1S/C13H18N2.C4H6O4/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;5-3(6)1-2-4(7)8/h1-8H2,(H2,14,15);1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24N2O4
Molecular Weight 320.39
AlogP 2.42
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 38.91
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 3 D000544 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297411
EPA CompTox DTXSID20235711
FDA SRS O90FM8614H
PubChem 44250206