COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL376536
Chemical Name: (5Z)-3-ethyl-5-{3-iodo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-methyl-2-thioxoimidazolidin-4-one
Smiles: CCN1C(=S)N(/C(=C\c2cc(I)c(c(c2)OC)OCc2ccc(cc2)[N+](=O)[O-])/C1=O)C

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Molecular Weight: 553.38
Empirical Formula: C21H20IN3O5S

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 4.456
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 119
Number of rings: 3

     

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