COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK197180
Chemical Name: (4Z)-4-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2[nH]nnn2)C)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 345.27
Empirical Formula: C13H11N7O5

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 0.748
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 162
Number of rings: 3

     

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