COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171862
Chemical Name: (4Z)-2-(3-bromophenyl)-4-{2,3-dibromo-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C\2/C(=NN(C2=O)c2cccc(c2)Br)C)c(c(c1OCc1ccccc1Cl)Br)Br

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Molecular Weight: 683.62
Empirical Formula: C26H20Br3ClN2O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 8.465
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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