COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063699
Chemical Name: 2-methoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl3-nitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])C(=S)N1CCCC1

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Molecular Weight: 386.43
Empirical Formula: C19H18N2O5S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 3.504
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 116
Number of rings: 3

     

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