COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385703
Chemical Name: (4Z)-4-{2-[(4-chlorobenzyl)oxy]-5-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)COc1ccc(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 447.88
Empirical Formula: C24H18ClN3O4

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 5.636
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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