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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=CN=CC=C1CN2C[C@H](CC2=O)C3=CC(F)=C(F)C(F)=C3

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 Sat Dec 16 09:55:08 UTC 2023
Edited
by admin
on Sat Dec 16 09:55:08 UTC 2023
Record UNII
JL0MO1QII5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APP-311
Code English
UCB-J
Code English
Code System Code Type Description
FDA UNII
JL0MO1QII5
Created by admin on Sat Dec 16 09:55:08 UTC 2023 , Edited by admin on Sat Dec 16 09:55:08 UTC 2023
PRIMARY
PUBCHEM
139953895
Created by admin on Sat Dec 16 09:55:08 UTC 2023 , Edited by admin on Sat Dec 16 09:55:08 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
BINDER->LIGAND
BINDING
LABELED -> NON-LABELED
Related Record Type Details
METABOLITE -> PARENT
METABOLITE -> PARENT
METABOLITE -> PARENT