COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382856
Chemical Name: 2,6-dimethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl3,5-dinitrobenzoate
Smiles: COc1cc(cc(c1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC)C(=S)N1CCCCC1

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Molecular Weight: 475.48
Empirical Formula: C21H21N3O8S

Physical State: Dry powder
Available Amount: 390 mg

Lipinsky:
logP: 3.975
Rotatable bonds: 3
H-donors: 0
H-acceptors: 8
PSA: 171
Number of rings: 3

     

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