Structure

InChI Key ZXXHOPNSTZKWRI-UHFFFAOYSA-N
Smile FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccncc4c3)CC2)c1
InChI
InChI=1S/C23H21F3N2/c24-23(25,26)22-3-1-2-20(15-22)19-8-12-28(13-9-19)11-7-17-4-5-18-6-10-27-16-21(18)14-17/h1-6,8,10,14-16H,7,9,11-13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21F3N2
Molecular Weight 382.43
AlogP 5.59
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 2 D001172 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297498
DrugBank DB16204
FDA SRS 5WX0OAF07I
PubChem 9842945
SureChEMBL SCHEMBL1385047