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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H8FNO3S
Molecular Weight 289.282
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAY-10505

SMILES

FC1=CC=C(C=C1)C2=CC=C(O2)\C=C3\SC(=O)NC3=O

InChI

InChIKey=UFBTYTGRUBUUIL-KPKJPENVSA-N
InChI=1S/C14H8FNO3S/c15-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)/b12-7+

HIDE SMILES / InChI

Molecular Formula C14H8FNO3S
Molecular Weight 289.282
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:01:02 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:02 GMT 2023
Record UNII
S8TQU87RAT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAY-10505
Code English
2,4-THIAZOLIDINEDIONE, 5-((5-(4-FLUOROPHENYL)-2-FURANYL)METHYLENE)-, (5E)-
Systematic Name English
CAY10505
Code English
Code System Code Type Description
FDA UNII
S8TQU87RAT
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY
PUBCHEM
1204893
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY
CAS
1218777-13-9
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID60360955
Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Better than the α, β, and δ isoforms (IC50 = 0.94, 20, and 20 μM, respectively).
IC50
Related Record Type Details
ACTIVE MOIETY
IC50