COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039904
Chemical Name: 4-[(E)-{2-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]-2-nitrophenolate
Smiles: Cc1cccc(c1)[NH+]1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])[O-])/S1

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Molecular Weight: 424.48
Empirical Formula: C21H20N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.471
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 131
Number of rings: 4

     

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