COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868259
Chemical Name: (4E)-4-(3-nitrobenzylidene)-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 380.36
Empirical Formula: C19H16N4O5

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 4.006
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 124
Number of rings: 3

     

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