COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143105
Chemical Name: (4Z)-5-(4-methoxyphenyl)-4-(4-nitrobenzylidene)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 444.4
Empirical Formula: C23H16N4O6

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 3.804
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 133
Number of rings: 4

     

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