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Chemical structure of Prolyl endopeptidase inhibitor 2

GC75771

Prolyl endopeptidase inhibitor 2

Also known as 1-(4-bromophenyl)-2-[4-[[3-[9-[[1-[2-(4-bromophenyl)-2-oxoethyl]triazol-4-yl]methyl]carbazol-3-yl]carbazol-9-yl]methyl]triazol-1-yl]ethanone

Prolyl endopeptidase inhibitor 2 (Compound 8) was a proline endopeptidase (PEP) inhibitor with IC50 value 31·11 μM

ChemicalCAS2362592-81-0MW888.61FormulaC46H32Br2N8O2
CAS number
2362592-81-0
Molecular weight
888.61
Formula
C46H32Br2N8O2
InChIKey
VTXFSJDLVDEEHU-UHFFFAOYSA-N
Catalogue number
GC75771
Brand
GLPBIO
Computed properties PubChem CID 171391417 · XLogP 9.6 · TPSA 105 Ų · H-bond donors 0
XLogP
9.6
TPSA
105 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
58

SMILES C1=CC=C2C(=C1)C3=C(N2CC4=CN(N=N4)CC(=O)C5=CC=C(C=C5)Br)C=CC(=C3)C6=CC7=C(C=C6)N(C8=CC=CC=C87)CC9=CN(N=N9)CC(=O)C1=CC=C(C=C1)Br

Computed descriptors from PubChem (CID 171391417), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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