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Chemical structure of MK-0557

GC31335

MK-0557

Also known as N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

An antagonist of NYP receptor Y5

ChemicalCAS328232-95-7MW406.41FormulaC22H19FN4O3
CAS number
328232-95-7
Molecular weight
406.41
Formula
C22H19FN4O3
Solubility
DMSO ： ≥ 28 mg/mL (68·90 mM)
InChIKey
RMYZIRFUCOMQRH-UHFFFAOYSA-N
Catalogue number
GC31335
Brand
GLPBIO
Computed properties PubChem CID 11491176 · XLogP 2.6 · TPSA 86.1 Ų · H-bond donors 1
XLogP
2.6
TPSA
86.1 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30

SMILES C1CC2(CCC1C(=O)NC3=NN(C=C3)C4=CC=CC=C4F)C5=C(C=CN=C5)C(=O)O2

Computed descriptors from PubChem (CID 11491176), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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