COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK048926
Chemical Name: 2,6-dimethoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl2-nitrobenzoate
Smiles: COc1cc(cc(c1OC(=O)c1ccccc1[N+](=O)[O-])OC)C(=S)N1CCCC1

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Molecular Weight: 416.45
Empirical Formula: C20H20N2O6S

Physical State: Dry powder
Available Amount: 69 mg

Lipinsky:
logP: 3.148
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 3

     

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