COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839665
Chemical Name: (5E)-5-(4-hydroxybenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Oc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 410.45
Empirical Formula: C20H18N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.543
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 127
Number of rings: 4

     

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