COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK298476
Chemical Name: methyl4-[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)Cn1nc(c(c1C)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 320.26
Empirical Formula: C13H12N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.549
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 135
Number of rings: 2

     

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