COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK035535
Chemical Name: (4Z)-1-(4-bromophenyl)-4-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrazolidine-3,5-dione
Smiles: COc1cc(cc(c1O)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)Br)[N+](=O)[O-]

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Molecular Weight: 434.2
Empirical Formula: C17H12BrN3O6

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 4.29
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 124
Number of rings: 3

     

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