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Chemical structure of TSHR antagonist S37

GC26016

TSHR antagonist S37

Also known as 9,14-diphenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione

TSHR antagonist S37 is a selective and competitive antagonist of the thyrotropin receptor (TSHR)

ChemicalCAS1217616-61-9MW460.57FormulaC25H20N2O3S2
CAS number
1217616-61-9
Molecular weight
460.57
Formula
C25H20N2O3S2
InChIKey
YGFJFPYQZCZNIH-UHFFFAOYSA-N
Catalogue number
GC26016
Brand
GLPBIO
Computed properties PubChem CID 23604673 · XLogP 3.8 · TPSA 117 Ų · H-bond donors 1
XLogP
3.8
TPSA
117 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
32

SMILES C1C2C3C(C1C4C2C(=O)N(C4=O)C5=CC=CC=C5)SC6=C(C3C7=CC=CC=C7)SC(=O)N6

Computed descriptors from PubChem (CID 23604673), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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