COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570012
Chemical Name: (5E)-5-{2-[(4-nitrobenzyl)oxy]benzylidene}-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 545.58
Empirical Formula: C27H23N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.99
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 162
Number of rings: 5

     

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