COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295081
Chemical Name: 2-(2-hydroxy-5-nitrophenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: [O-][N+](=O)c1ccc(c(c1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-])O

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Molecular Weight: 424.28
Empirical Formula: C18H8N4O9

Physical State: Dry powder
Available Amount: 951 mg

Lipinsky:
logP: 1.36
Rotatable bonds: 1
H-donors: 1
H-acceptors: 9
PSA: 195
Number of rings: 4

     

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