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Chemical structure of AChE/BuChE-IN-4

GC71330

AChE/BuChE-IN-4

Also known as 4-N-[(1-benzylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine

AChE/BuChE-IN-4(compound 4a) is aorally activeandbrain-penetrantmultitarget-directedAChE/BuChEinhibitor againstAChEandBuChE, with theIC50of 2·08 and 7·41 μM

ChemicalCAS1997158-25-4MW297.4FormulaC17H23N5
CAS number
1997158-25-4
Molecular weight
297.4
Formula
C17H23N5
Solubility
DMSO ： ≥ 125 mg/mL (420·31 mM)
InChIKey
UOIHYBDULIXVAR-UHFFFAOYSA-N
Catalogue number
GC71330
Brand
GLPBIO
Computed properties PubChem CID 154727639 · XLogP 2.4 · TPSA 67.1 Ų · H-bond donors 2
XLogP
2.4
TPSA
67.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22

SMILES C1CN(CCC1CNC2=NC(=NC=C2)N)CC3=CC=CC=C3

Computed descriptors from PubChem (CID 154727639), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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