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Chemical structure of AC1-IN-1

GC65376

AC1-IN-1

Also known as N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide

AC1-IN-1 is a potent and selective Adenylyl cyclase type 1 (AC1) inhibitor with an IC50 of 0·54 ?M

ChemicalCAS2762422-55-7MW355.37FormulaC18H18FN5O2
CAS number
2762422-55-7
Molecular weight
355.37
Formula
C18H18FN5O2
InChIKey
DMYBQBANWFHYSM-UHFFFAOYSA-N
Catalogue number
GC65376
Brand
GLPBIO
Computed properties PubChem CID 163196451 · XLogP 2.5 · TPSA 88.4 Ų · H-bond donors 2
XLogP
2.5
TPSA
88.4 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

SMILES CCC1=CC(=O)NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=C(C=CC(=C3)C)F

Computed descriptors from PubChem (CID 163196451), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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