COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454560
Chemical Name: (2Z)-2-{4-[(4-bromobenzyl)oxy]-3-ethoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Br)/C=C(\C(=O)C(C)(C)C)/C#N

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Molecular Weight: 442.35
Empirical Formula: C23H24BrNO3

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 5.838
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 2

     

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