COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK038924
Chemical Name: (4E)-4-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxybenzylidene}-1-phenylpyrazolidine-3,5-dione
Smiles: COc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)/C=C/1\C(=O)NN(C1=O)c1ccccc1

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Molecular Weight: 486.57
Empirical Formula: C29H30N2O5

Physical State: Dry powder
Available Amount: 340 mg

Lipinsky:
logP: 6.365
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 4

     

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