COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382923
Chemical Name: 4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl3,5-dinitrobenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 494.32
Empirical Formula: C19H16BrN3O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.012
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 153
Number of rings: 3

     

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