COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK342893
Chemical Name: 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanone
Smiles: O=C(N1CCCCCC1)Cn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 280.33
Empirical Formula: C13H20N4O3

Available Amount: 0 mg

Lipinsky:
logP: 2.578
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 2

     

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