COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295088
Chemical Name: 2-(3,4-dimethylphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: [O-][N+](=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)c1ccc(c(c1)C)C)[N+](=O)[O-]

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Molecular Weight: 391.34
Empirical Formula: C20H13N3O6

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 2.928
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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