COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL376271
Chemical Name: (2E,5E)-3-ethyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)/N=C\1/S/C(=C/c2cc(OC)c(c(c2)[N+](=O)[O-])O)/C(=O)N1CC

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Molecular Weight: 429.45
Empirical Formula: C20H19N3O6S

Physical State: Dry powder
Available Amount: 416 mg

Lipinsky:
logP: 4.724
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 3

     

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