COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK747815
Chemical Name: (5E)-3-{[(3-nitrophenyl)amino]methyl}-5-[4-(propan-2-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc(cc2)C(C)C)/C(=O)N1CNc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 413.52
Empirical Formula: C20H19N3O3S2

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 4.688
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 135
Number of rings: 3

     

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