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Chemical structure of GST-FH·4

GC73912

GST-FH·4

Also known as N-(3,4-dimethoxyphenyl)-3-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-amine

GST-FH·4 is a GST-FH compound, a complex that produces frequent false positive hits (FH) in the interaction between glutathione S-transferase (GST) and glutathione (GSH)

ChemicalCAS1358386-87-4MW424.48FormulaC20H20N6O3S
CAS number
1358386-87-4
Molecular weight
424.48
Formula
C20H20N6O3S
InChIKey
ZNBWMKXNYIXLSW-UHFFFAOYSA-N
Catalogue number
GC73912
Brand
GLPBIO
Computed properties PubChem CID 53137334 · XLogP 4.1 · TPSA 124 Ų · H-bond donors 1
XLogP
4.1
TPSA
124 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
30

SMILES CC1=C(N=NN1C2=CC=CC=C2OC)C3=NSC(=N3)NC4=CC(=C(C=C4)OC)OC

Computed descriptors from PubChem (CID 53137334), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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