COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002951
Chemical Name: (4E)-4-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxybenzylidene}-1-phenylpyrazolidine-3,5-dione
Smiles: CCOc1cc(ccc1OCCOc1c(C)cccc1C)/C=C/1\C(=O)NN(C1=O)c1ccccc1

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Molecular Weight: 472.54
Empirical Formula: C28H28N2O5

Physical State: Dry powder
Available Amount: 546 mg

Lipinsky:
logP: 6.128
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 4

     

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