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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17F3N4
Molecular Weight 334.3389
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGS 12066B-PARENT

SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C=CC=C24

InChI

InChIKey=LXFHSCDLMBZYKY-UHFFFAOYSA-N
InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H17F3N4
Molecular Weight 334.3389
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:03:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:03:53 GMT 2023
Record UNII
5TB4SXQ7HG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGS 12066B-PARENT
Common Name English
7-(TRIFLUOROMETHYL)-4-(4-METHYLPIPERAZIN-1-YL)PYRROLO(1,2-A)QUINOXALINE
Systematic Name English
J336.559J
Code English
CGS 12066
Code English
PYRROLO(1,2-A)QUINOXALINE, 4-(4-METHYL-1-PIPERAZINYL)-7-(TRIFLUOROMETHYL)-
Systematic Name English
CGS-12066
Code English
Code System Code Type Description
CAS
109028-09-3
Created by admin on Sat Dec 16 08:03:53 GMT 2023 , Edited by admin on Sat Dec 16 08:03:53 GMT 2023
PRIMARY
FDA UNII
5TB4SXQ7HG
Created by admin on Sat Dec 16 08:03:53 GMT 2023 , Edited by admin on Sat Dec 16 08:03:53 GMT 2023
PRIMARY
PUBCHEM
2689
Created by admin on Sat Dec 16 08:03:53 GMT 2023 , Edited by admin on Sat Dec 16 08:03:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID3043730
Created by admin on Sat Dec 16 08:03:53 GMT 2023 , Edited by admin on Sat Dec 16 08:03:53 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
BINDING
IC50