Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z41H3C5BT9

Structure

InChI Key HYMZAYGFKNNHDN-SSDVNMTOSA-N
Smile COc1cccc(/C=N/N(C(=O)C(F)(F)F)c2ccc(C)cc2C)c1
InChI
InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17F3N2O2
Molecular Weight 350.34
AlogP 4.24
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 41.9
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 1 D000544 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1146963-51-0
ChEBI 192601
ChEMBL CHEMBL2387144
DrugBank DB13957
FDA SRS Z41H3C5BT9
PubChem 25229652
SureChEMBL SCHEMBL12995834
ZINC ZINC000059155662