COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042552
Chemical Name: (5Z)-5-(butan-2-ylidene)-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: CC/C(=C/1\SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])/C

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Molecular Weight: 360.44
Empirical Formula: C17H20N4O3S

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 3.073
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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