COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK670769
Chemical Name: N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-nitrobenzamide
Smiles: [O-][N+](=O)c1ccccc1C(=O)Nn1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 451.31
Empirical Formula: C19H9N5O9

Physical State: Dry powder
Available Amount: 252 mg

Lipinsky:
logP: 0.942
Rotatable bonds: 1
H-donors: 1
H-acceptors: 9
PSA: 203
Number of rings: 4

     

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