COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431002
Chemical Name: (4Z)-4-(3-bromo-4-methoxybenzylidene)-1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
Smiles: COc1ccc(cc1Br)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)C(F)(F)F

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Molecular Weight: 441.2
Empirical Formula: C18H12BrF3N2O3

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 4.323
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 58
Number of rings: 3

     

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