COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL443403
Chemical Name: (4Z)-4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-5-hydroxy-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)C)O)cc(c1O)Br

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Molecular Weight: 403.23
Empirical Formula: C18H15BrN2O4

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 4.042
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 82
Number of rings: 3

     

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