COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541728
Chemical Name: 1-(4-{[5-(4-nitrophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)ethanone
Smiles: CC(=O)N1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 359.41
Empirical Formula: C17H17N3O4S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 0.848
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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