COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK779589
Chemical Name: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(1H-pyrazol-1-yl)butan-1-one
Smiles: [O-][N+](=O)c1c(C)nn(c1C)CCCC(=O)n1cccn1

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Molecular Weight: 277.28
Empirical Formula: C12H15N5O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.202
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 98
Number of rings: 2

     

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