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Chemical structure of HSD17B13-IN-43

GC75734

HSD17B13-IN-43

Also known as 3,5-dichloro-4-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-5-yl]benzamide

HSD17B13-IN-43 (11) is a 17β-Hydroxysteroid dehydrogenases (HSD17B13) inhibitor, with an IC50 of ＜0·1 μM for Estradiol

ChemicalCAS2770246-11-0MW508.28FormulaC23H14Cl2F3N3O3
CAS number
2770246-11-0
Molecular weight
508.28
Formula
C23H14Cl2F3N3O3
Solubility
DMSO： 10 mg/mL (19·67 mM; Need ultrasonic)
InChIKey
AZLYYNIXTDGFFV-UHFFFAOYSA-N
Catalogue number
GC75734
Brand
GLPBIO
Computed properties PubChem CID 163300993 · XLogP 5.6 · TPSA 82 Ų · H-bond donors 2
XLogP
5.6
TPSA
82 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
34

SMILES C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC3=C(C2=O)C(=CC=C3)NC(=O)C4=CC(=C(C(=C4)Cl)O)Cl

Computed descriptors from PubChem (CID 163300993), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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