COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK394103
Chemical Name: (4Z)-4-{3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-1-phenylpyrazolidine-3,5-dione
Smiles: O=C1NN(C(=O)/C/1=C\c1ccc(c(c1)Br)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)c1ccccc1

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Molecular Weight: 548.27
Empirical Formula: C23H13BrF3N3O5

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 5.681
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 4

     

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