COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372362
Chemical Name: (4Z)-4-(3,5-dibromo-2-ethoxybenzylidene)-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1c(cc(cc1Br)Br)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)C

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Molecular Weight: 492.21
Empirical Formula: C21H20Br2N2O2

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 6.449
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 41
Number of rings: 3

     

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