COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK116572
Chemical Name: 2-{[(5E)-5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzonitrile
Smiles: N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)c(c(c2)[N+](=O)[O-])O)/C1=O

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Molecular Weight: 460.26
Empirical Formula: C18H10BrN3O5S

Physical State: Dry powder
Available Amount: 191 mg

Lipinsky:
logP: 4.382
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 152
Number of rings: 3

     

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