COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021084
Chemical Name: (5E)-3-{[4-(3-methylphenyl)piperazin-1-yl]methyl}-5-(4-nitrobenzylidene)-1,3-thiazolidine-2,4-dione
Smiles: Cc1cccc(c1)N1CCN(CC1)CN1C(=O)S/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.749
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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