COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431964
Chemical Name: (4Z)-4-(3-bromo-4-methoxybenzylidene)-2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1Br)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C

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Molecular Weight: 440.12
Empirical Formula: C18H13BrCl2N2O2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.956
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 41
Number of rings: 3

     

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