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Chemical structure of PFI 3

GC14361

PFI 3

Also known as (E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one

inhibitor of polybromo 1 and SMARCA4

ChemicalCAS1819363-80-8MW321.37FormulaC19H19N3O2
CAS number
1819363-80-8
Molecular weight
321.37
Formula
C19H19N3O2
Solubility
≥ 15·15mg/mL in DMSO
InChIKey
INAICWLVUAKEPB-QSTFCLMHSA-N
Catalogue number
GC14361
Brand
GLPBIO
Computed properties PubChem CID 78243717 · XLogP 3.3 · TPSA 56.7 Ų · H-bond donors 1
XLogP
3.3
TPSA
56.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

SMILES C1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O

Computed descriptors from PubChem (CID 78243717), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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