COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358451
Chemical Name: 2-(4-hydroxy-2-methylphenyl)-5-nitro-6-(piperidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Oc1ccc(c(c1)C)n1c(=O)c2cccc3c2c(c1=O)cc(c3N1CCCCC1)[N+](=O)[O-]

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Molecular Weight: 431.45
Empirical Formula: C24H21N3O5

Physical State: Dry powder
Available Amount: 508 mg

Lipinsky:
logP: 4.353
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 106
Number of rings: 5

     

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