COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042520
Chemical Name: (5Z)-5-(4-ethylbenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: CCc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 422.51
Empirical Formula: C22H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.071
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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