COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382818
Chemical Name: 2-methoxy-5-(piperidin-1-ylcarbonothioyl)phenyl3,5-dinitrobenzoate
Smiles: COc1ccc(cc1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=S)N1CCCCC1

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Molecular Weight: 445.45
Empirical Formula: C20H19N3O7S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 3.918
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 162
Number of rings: 3

     

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