COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186575
Chemical Name: (2E,5E)-2-[(3,4-dimethylphenyl)imino]-5-(4-ethoxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
Smiles: CCOc1ccc(cc1[N+](=O)[O-])/C=C\1/S/C(=N/c2ccc(c(c2)C)C)/NC1=O

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Molecular Weight: 397.45
Empirical Formula: C20H19N3O4S

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 3.565
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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