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Chemical structure of (3S,4R)-GNE-6893

GC73214

(3S,4R)-GNE-6893

Also known as [(3S,4R)-4-methyloxolan-3-yl] N-[8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate

(3S,4R)-GNE-6893 is a potent and orally active HPK1 inhibitor

ChemicalCAS2415374-97-7MW453.47FormulaC23H24FN5O4
CAS number
2415374-97-7
Molecular weight
453.47
Formula
C23H24FN5O4
Solubility
DMSO ： 100 mg/mL (220·52 mM; Need ultrasonic)
InChIKey
ABFKLHVMHUGOBS-PIGZYNQJSA-N
Catalogue number
GC73214
Brand
GLPBIO
Computed properties PubChem CID 146463535 · XLogP 2.9 · TPSA 121 Ų · H-bond donors 3
XLogP
2.9
TPSA
121 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
33

SMILES C[C@@H]1COC[C@H]1OC(=O)NC2=CC3=CC(=C(C(=C3C=N2)N)F)C4=CN=C5C(=C4C)NCCO5

Computed descriptors from PubChem (CID 146463535), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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