COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000444
Chemical Name: (4E)-4-{3-bromo-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCCOc1ccc(c(c1)C)Cl)Br

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Molecular Weight: 555.86
Empirical Formula: C27H24BrClN2O4

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 6.716
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 60
Number of rings: 4

     

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