COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295079
Chemical Name: 2-(4-methyl-2-nitrophenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Cc1ccc(c(c1)[N+](=O)[O-])n1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 422.31
Empirical Formula: C19H10N4O8

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 2.198
Rotatable bonds: 0
H-donors: 0
H-acceptors: 8
PSA: 174
Number of rings: 4

     

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