COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147495
Chemical Name: 2-nitro-4-[(E)-{2-[4-(2-nitrophenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenolate
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])[O-])N1CC[NH+](CC1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 455.45
Empirical Formula: C20H17N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.941
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 177
Number of rings: 4

     

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