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Chemical structure of PERK-IN-2

GC69687

PERK-IN-2

Also known as 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(2,3,5-trifluorophenyl)ethanone

PERK-IN-2 is a highly efficient PERK inhibitor with an IC50 value of 0·2 nM

ChemicalCAS1337531-83-5MW437.42FormulaC23H18F3N5O
CAS number
1337531-83-5
Molecular weight
437.42
Formula
C23H18F3N5O
InChIKey
JCUSVFKWUQBVHH-UHFFFAOYSA-N
Catalogue number
GC69687
Brand
GLPBIO
Computed properties PubChem CID 66561090 · XLogP 3.2 · TPSA 77 Ų · H-bond donors 1
XLogP
3.2
TPSA
77 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
32

SMILES CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=C(C(=CC(=C5)F)F)F

Computed descriptors from PubChem (CID 66561090), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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