COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780794
Chemical Name: methyl2-{[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CCCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 360.37
Empirical Formula: C17H20N4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.319
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 119
Number of rings: 2

     

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