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Chemical structure of F5446

GC73294

F5446

Also known as 8-O-benzyl 2-O-methyl 3-(4-chlorophenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate

F5446 (Compound 1) is a selective small molecule inhibitor of SUV39H1 metltransferase

ChemicalCAS2304465-89-0MW552.94FormulaC26H17ClN2O8S
CAS number
2304465-89-0
Molecular weight
552.94
Formula
C26H17ClN2O8S
Solubility
DMSO ： 100 mg/mL (180·85 mM; Need ultrasonic)
InChIKey
MLPQCOLPRPRADV-UHFFFAOYSA-N
Catalogue number
GC73294
Brand
GLPBIO
Computed properties PubChem CID 138482841 · XLogP 4.2 · TPSA 150 Ų · H-bond donors 1
XLogP
4.2
TPSA
150 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38

SMILES COC(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C(=O)C4=C2C(=CN4)C(=O)OCC5=CC=CC=C5

Computed descriptors from PubChem (CID 138482841), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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