COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004521
Chemical Name: (4E)-4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
Smiles: O=C1NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 454.24
Empirical Formula: C20H12BrN3O5

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 4.572
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 4

     

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