COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683857
Chemical Name: 1-(5-methyl-3-nitro-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Smiles: [O-][N+](=O)c1cnn(c1)CCCC(=O)n1nc(cc1C)[N+](=O)[O-]

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Molecular Weight: 308.25
Empirical Formula: C11H12N6O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.472
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 144
Number of rings: 2

     

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