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Chemical structure of nNOS-IN-1

GC76880

nNOS-IN-1

Also known as 3-bromo-2H-indazole-7-carbonitrile

nNOS-IN-1(Compound 14) is an inhibitor for nitric oxide synthases (NOS), that exhibits inhibitory activities against neuroal, inducible and endothelial NOS, with IC50s of 2·5, 5·7 and 13 μM, respectively

ChemicalCAS945762-00-5MW222.04FormulaC8H4BrN3
CAS number
945762-00-5
Molecular weight
222.04
Formula
C8H4BrN3
Solubility
DMSO： 100 mg/mL (450·37 mM; Need ultrasonic)
InChIKey
MRGZUAUMTMLMTE-UHFFFAOYSA-N
Catalogue number
GC76880
Brand
GLPBIO
Computed properties PubChem CID 44585510 · XLogP 2.3 · TPSA 52.5 Ų · H-bond donors 1
XLogP
2.3
TPSA
52.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

SMILES C1=CC2=C(NN=C2C(=C1)C#N)Br

Computed descriptors from PubChem (CID 44585510), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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