COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570392
Chemical Name: (5Z)-5-(3-nitrobenzylidene)-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 439.45
Empirical Formula: C20H17N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.5
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 152
Number of rings: 4

     

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