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Chemical structure of GALK1-IN-1

GC69146

GALK1-IN-1

Also known as 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

GALK1-IN-1 (Compound 4) is a galactokinase inhibitor (IC50: 4·2129 μM)

ChemicalCAS669718-48-3MW336.39FormulaC19H20N4O2
CAS number
669718-48-3
Molecular weight
336.39
Formula
C19H20N4O2
Solubility
DMSO ： 2 mg/mL (5·95 mM; ultrasonic and warming and heat to 60°C)
InChIKey
FDNVTCDQGOVLPM-UHFFFAOYSA-N
Catalogue number
GC69146
Brand
GLPBIO
Computed properties PubChem CID 664331 · XLogP 2.1 · TPSA 79.5 Ų · H-bond donors 2
XLogP
2.1
TPSA
79.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

SMILES C1CCC2(C1)C3=C(CCCC3=O)NC(=N2)NC4=NC5=CC=CC=C5O4

Computed descriptors from PubChem (CID 664331), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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