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Chemical structure of PE 154

GC14163

PE 154

Also known as 2-[4-[[7-(diethylamino)-4-hydroxy-2-oxochromen-3-yl]methylideneamino]phenyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)acetohydrazide

human acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitor

ChemicalCAS1192750-33-6MW589.68FormulaC35H35N5O4
CAS number
1192750-33-6
Molecular weight
589.68
Formula
C35H35N5O4
Solubility
＜29·48mg/ml in DMSO
InChIKey
RSKDYQUBLFFWPM-UHFFFAOYSA-N
Catalogue number
GC14163
Brand
GLPBIO
Computed properties PubChem CID 135870290 · XLogP 6.2 · TPSA 116 Ų · H-bond donors 3
XLogP
6.2
TPSA
116 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
44

SMILES CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=NC3=CC=C(C=C3)CC(=O)NNC4=C5CCCCC5=NC6=CC=CC=C64)O

Computed descriptors from PubChem (CID 135870290), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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