COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570040
Chemical Name: 4-[(Z)-{2-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenolate
Smiles: [O-]c1ccc(cc1)/C=C/1\SC(=NC1=O)N1CC[NH+](CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 410.45
Empirical Formula: C20H18N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.063
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 131
Number of rings: 4

     

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