COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL298171
Chemical Name: (4E)-4-{[5-hydroxy-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/c1c(C)nn(c1O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 448.39
Empirical Formula: C21H16N6O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.222
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 162
Number of rings: 4

     

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