Synonyms:
Status: Approved (2014)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BMO5G62HGB

Structure

InChI Key NCWZOASIUQVOFA-NSCUHMNNSA-N
Smile CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1
InChI
InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26FNO3
Molecular Weight 359.44
AlogP 4.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 39.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cognitive Dysfunction 2 D060825 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1908906
FDA SRS BMO5G62HGB
Guide to Pharmacology 7769
SureChEMBL SCHEMBL2829585
ZINC ZINC000043194409