COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294676
Chemical Name: 2-[(3,4-dimethylphenyl)amino]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: [O-][N+](=O)c1cc2cc(cc3c2c(c1)c(=O)n(c3=O)Nc1ccc(c(c1)C)C)[N+](=O)[O-]

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Molecular Weight: 406.35
Empirical Formula: C20H14N4O6

Physical State: Dry powder
Available Amount: 1170 mg

Lipinsky:
logP: 3.138
Rotatable bonds: 0
H-donors: 1
H-acceptors: 6
PSA: 141
Number of rings: 4

     

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