U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H15F3N2O
Molecular Weight 320.309
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APP-311

SMILES

CC1=C(CN2C[C@H](CC2=O)C3=CC(F)=C(F)C(F)=C3)C=CN=C1

InChI

InChIKey=RFSDYRVOGWHOFT-ZDUSSCGKSA-N
InChI=1S/C17H15F3N2O/c1-10-7-21-3-2-11(10)8-22-9-13(6-16(22)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H15F3N2O
Molecular Weight 320.309
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:54:57 GMT 2025
Edited
by admin
on Mon Mar 31 22:54:57 GMT 2025
Record UNII
JL0MO1QII5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APP-311
Code English
UCB-J
Preferred Name English
Code System Code Type Description
FDA UNII
JL0MO1QII5
Created by admin on Mon Mar 31 22:54:57 GMT 2025 , Edited by admin on Mon Mar 31 22:54:57 GMT 2025
PRIMARY
PUBCHEM
139953895
Created by admin on Mon Mar 31 22:54:57 GMT 2025 , Edited by admin on Mon Mar 31 22:54:57 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
BINDER->LIGAND
BINDING
LABELED -> NON-LABELED
Related Record Type Details
METABOLITE -> PARENT
METABOLITE -> PARENT
METABOLITE -> PARENT