COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021097
Chemical Name: (5E)-3-[(4-methylpiperazin-1-yl)methyl]-5-(4-nitrobenzylidene)-1,3-thiazolidine-2,4-dione
Smiles: CN1CCN(CC1)CN1C(=O)S/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 362.41
Empirical Formula: C16H18N4O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.002
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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