COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK069140
Chemical Name: 4-{(2Z)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzenesulfonicacid
Smiles: CC1=NN(C(=O)/C/1=N\Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 403.38
Empirical Formula: C16H13N5O6S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 0.513
Rotatable bonds: 1
H-donors: 2
H-acceptors: 6
PSA: 165
Number of rings: 3

     

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