COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700050
Chemical Name: 1-(3-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl)-1-hydroxy-3-(4-nitrophenyl)urea
Smiles: COc1ccc(cc1OC)/C=N/N1C(=S)SC(C1N(C(=O)Nc1ccc(cc1)[N+](=O)[O-])O)(C)C

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Molecular Weight: 505.58
Empirical Formula: C21H23N5O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.918
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 189
Number of rings: 3

     

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