COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK481727
Chemical Name: (2E)-2-[2-bromo-5-ethoxy-4-(propan-2-yloxy)benzylidene]-4,4-dimethyl-3-oxopentanenitrile
Smiles: CCOc1cc(/C=C(/C(=O)C(C)(C)C)\C#N)c(cc1OC(C)C)Br

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Molecular Weight: 394.31
Empirical Formula: C19H24BrNO3

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 5.442
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 1

     

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