COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428294
Chemical Name: (5Z)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)N1C(=S)S/C(=C\c2cc(OC)c(c(c2)[N+](=O)[O-])O)/C1=O

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Molecular Weight: 418.45
Empirical Formula: C18H14N2O6S2

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 4.302
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 162
Number of rings: 3

     

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