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 ACHIRAL
Molecular Formula C23H26F2N2O3
Molecular Weight 416.4609
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SUN-1334

SMILES

OC(=O)COC\C=C\CN1CCN(CC1)C(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3

InChI

InChIKey=PXQVDRLCSQHQTO-OWOJBTEDSA-N
InChI=1S/C23H26F2N2O3/c24-20-7-3-18(4-8-20)23(19-5-9-21(25)10-6-19)27-14-12-26(13-15-27)11-1-2-16-30-17-22(28)29/h1-10,23H,11-17H2,(H,28,29)/b2-1+

HIDE SMILES / InChI

Molecular Formula C23H26F2N2O3
Molecular Weight 416.4609
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 Mon Mar 31 18:30:29 GMT 2025
Edited
by admin
on Mon Mar 31 18:30:29 GMT 2025
Record UNII
TC6VTE3B6X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUN-1334
Code English
ACETIC ACID, (((2E)-4-(4-(BIS(4-FLUOROPHENYL)METHYL)-1-PIPERAZINYL)-2-BUTENYL)OXY)
Preferred Name English
Code System Code Type Description
FDA UNII
TC6VTE3B6X
Created by admin on Mon Mar 31 18:30:29 GMT 2025 , Edited by admin on Mon Mar 31 18:30:29 GMT 2025
PRIMARY
PUBCHEM
10194550
Created by admin on Mon Mar 31 18:30:29 GMT 2025 , Edited by admin on Mon Mar 31 18:30:29 GMT 2025
PRIMARY
CAS
607737-00-8
Created by admin on Mon Mar 31 18:30:29 GMT 2025 , Edited by admin on Mon Mar 31 18:30:29 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Ki
OFF TARGET->NON-INHIBITOR
IC50
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY