COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010535
Chemical Name: (4E)-4-{3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-ethoxybenzylidene}-1-phenylpyrazolidine-3,5-dione
Smiles: CCOc1cc(/C=C/2\C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1ccc(cc1)C1CCCCC1)Br

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Molecular Weight: 605.53
Empirical Formula: C32H33BrN2O5

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 8.48
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 5

     

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