COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK104162
Chemical Name: (4E)-4-{3-chloro-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl

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Molecular Weight: 491.93
Empirical Formula: C26H22ClN3O5

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 5.844
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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