COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074954
Chemical Name: 2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl4-chloro-3-nitrobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C(=S)N1CCCCC1

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Molecular Weight: 448.93
Empirical Formula: C21H21ClN2O5S

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 5.156
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 116
Number of rings: 3

     

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