COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374449
Chemical Name: (2E,5Z)-2-[(4-ethoxyphenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-3-propyl-1,3-thiazolidin-4-one
Smiles: CCCN1/C(=N\c2ccc(cc2)OCC)/S/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/C1=O

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Molecular Weight: 427.48
Empirical Formula: C21H21N3O5S

Physical State: Dry powder
Available Amount: 1122 mg

Lipinsky:
logP: 5.718
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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