COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK708144
Chemical Name: (4Z)-4-(4-methoxy-3-nitrobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C\1/C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 337.33
Empirical Formula: C18H15N3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.025
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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