COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082121
Chemical Name: (4E)-4-(5-bromo-2-{2-[4-(butan-2-yl)phenoxy]ethoxy}benzylidene)-1-phenylpyrazolidine-3,5-dione
Smiles: CCC(c1ccc(cc1)OCCOc1ccc(cc1/C=C/1\C(=O)NN(C1=O)c1ccccc1)Br)C

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Molecular Weight: 535.44
Empirical Formula: C28H27BrN2O4

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 7.818
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 4

     

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