COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419378
Chemical Name: 6-(dimethylamino)-2-(4-ethoxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: CCOc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3N(C)C)[N+](=O)[O-]

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Molecular Weight: 405.41
Empirical Formula: C22H19N3O5

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 3.278
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 95
Number of rings: 4

     

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