COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374376
Chemical Name: (2E,5Z)-2-[(4-ethoxyphenyl)imino]-3-ethyl-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
Smiles: CCOc1ccc(cc1)/N=C\1/S/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/C(=O)N1CC

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Molecular Weight: 413.45
Empirical Formula: C20H19N3O5S

Physical State: Dry powder
Available Amount: 970 mg

Lipinsky:
logP: 5.187
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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