COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545682
Chemical Name: 3-nitro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 513.64
Empirical Formula: C25H27N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.469
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 161
Number of rings: 3

     

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