COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294718
Chemical Name: 4-{6-[(2-hydroxyethyl)amino]-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}-N-(3-methylphenyl)benzenesulfonamide
Smiles: OCCNc1c2cccc3c2c(cc1[N+](=O)[O-])c(=O)n(c3=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C

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Molecular Weight: 546.56
Empirical Formula: C27H22N4O7S

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 2.945
Rotatable bonds: 3
H-donors: 3
H-acceptors: 7
PSA: 170
Number of rings: 5

     

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