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Chemical structure of Morphothiadine

GC32073

Morphothiadine

Also listed as Morphothiadin (GLS4)

Morphothiadin (GLS4) is a potent inhibitor on the replication of both wild-type and adefovir-resistant HBV with an IC50 of 12 nM

ChemicalCAS1092970-12-1MW509.39FormulaC21H22BrFN4O3S
CAS number
1092970-12-1
Molecular weight
509.39
Formula
C21H22BrFN4O3S
Solubility
DMSO : 100 mg/mL (196·31 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
SQGRDKSRFFUBBU-UHFFFAOYSA-N
Catalogue number
GC32073
Brand
GLPBIO
Computed properties PubChem CID 25144422 · XLogP 2.5 · TPSA 104 Ų · H-bond donors 1
XLogP
2.5
TPSA
104 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

SMILES CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)F)Br)C3=NC=CS3)CN4CCOCC4

Computed descriptors from PubChem (CID 25144422), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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