COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371590
Chemical Name: (5Z)-5-{3-chloro-4-[(4-nitrobenzyl)oxy]benzylidene}-3-ethyl-2-thioxoimidazolidin-4-one
Smiles: CCN1C(=S)N/C(=C\c2ccc(c(c2)Cl)OCc2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 417.87
Empirical Formula: C19H16ClN3O4S

Physical State: Dry powder
Available Amount: 1285 mg

Lipinsky:
logP: 4.442
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 119
Number of rings: 3

     

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