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Chemical structure of FEN1-IN-2

GC69101

FEN1-IN-2

Also known as 4-[3-[(3-hydroxy-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)methyl]phenyl]benzamide

FEN1-IN-2 (compound 20) is an inhibitor of flap endonuclease 1 (FEN1), with IC50 values of 3 nM and 226 nM for FEN1 and XPG, respectively

ChemicalCAS824983-94-0MW393.42FormulaC20H15N3O4S
CAS number
824983-94-0
Molecular weight
393.42
Formula
C20H15N3O4S
InChIKey
VQEJSOSSYFEKGH-UHFFFAOYSA-N
Catalogue number
GC69101
Brand
GLPBIO
Computed properties PubChem CID 11654052 · XLogP 2.3 · TPSA 132 Ų · H-bond donors 2
XLogP
2.3
TPSA
132 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28

SMILES C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)N)CN3C4=C(C(=O)N(C3=O)O)SC=C4

Computed descriptors from PubChem (CID 11654052), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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