COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL345967
Chemical Name: (5Z)-5-(2-ethoxybenzylidene)-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.136
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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