COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112575
Chemical Name: 2-{[(5E)-5-(2-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzonitrile
Smiles: N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(c2O)[N+](=O)[O-])/C1=O

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Molecular Weight: 381.37
Empirical Formula: C18H11N3O5S

Physical State: Dry powder
Available Amount: 241 mg

Lipinsky:
logP: 4.082
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 152
Number of rings: 3

     

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