COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839555
Chemical Name: (5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[2-(prop-2-en-1-yloxy)benzylidene]-1,3-thiazol-4(5H)-one
Smiles: C=CCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 450.52
Empirical Formula: C23H22N4O4S

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 4.89
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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