COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507632
Chemical Name: (4Z)-4-(3-bromo-4-methoxybenzylidene)-2-(3-chlorophenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1Br)/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)O

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Molecular Weight: 407.65
Empirical Formula: C17H12BrClN2O3

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 4.357
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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