U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H21FN2O2
Molecular Weight 280.3378
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PXS-4728A FREE BASE

SMILES

CC(C)(C)NC(=O)C1=CC=C(OC\C(CN)=C\F)C=C1

InChI

InChIKey=OWNSXNXYELKDSO-DHZHZOJOSA-N
InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/b11-8+

HIDE SMILES / InChI

Molecular Formula C15H21FN2O2
Molecular Weight 280.3378
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Record UNII
MFI2XG2PVK
Record Status Validated (UNII)
Record Version