COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700214
Chemical Name: 1-(3-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl)-1-hydroxy-3-(4-nitrophenyl)urea
Smiles: Brc1ccc(c(c1)/C=N/N1C(=S)SC(C1N(C(=O)Nc1ccc(cc1)[N+](=O)[O-])O)(C)C)O

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Molecular Weight: 540.42
Empirical Formula: C19H18BrN5O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.976
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 191
Number of rings: 3

     

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