COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507614
Chemical Name: (4Z)-4-(4-bromo-3-nitrobenzylidene)-2-(3,4-dimethylphenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: OC1=NN(C(=O)/C/1=C\c1ccc(c(c1)[N+](=O)[O-])Br)c1ccc(c(c1)C)C

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Molecular Weight: 416.23
Empirical Formula: C18H14BrN3O4

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.696
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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