COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700526
Chemical Name: 1-hydroxy-1-(3-{[(E)-(4-hydroxyphenyl)methylidene]amino}-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl)-3-(4-nitrophenyl)urea
Smiles: Oc1ccc(cc1)/C=N/N1C(=S)SC(C1N(C(=O)Nc1ccc(cc1)[N+](=O)[O-])O)(C)C

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Molecular Weight: 461.52
Empirical Formula: C19H19N5O5S2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.553
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 191
Number of rings: 3

     

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