COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042309
Chemical Name: 4-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzenesulfonicacid
Smiles: NC(=S)N1N=C(/C(=N/Nc2ccc(cc2)S(=O)(=O)O)/C1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 448.44
Empirical Formula: C16H12N6O6S2

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 0.218
Rotatable bonds: 1
H-donors: 4
H-acceptors: 6
PSA: 223
Number of rings: 3

     

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