COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700529
Chemical Name: 1-[3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-nitrophenyl)urea
Smiles: CN(c1ccc(cc1)/C=N/N1C(=S)SC(C1N(C(=O)Nc1ccc(cc1)[N+](=O)[O-])O)(C)C)C

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Molecular Weight: 488.59
Empirical Formula: C21H24N6O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.971
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 174
Number of rings: 3

     

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