COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK137815
Chemical Name: (2E)-2-{4-[(2,6-dichlorobenzyl)oxy]-3-ethoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: CCOc1cc(ccc1OCc1c(Cl)cccc1Cl)/C=C(/C(=O)C(C)(C)C)\C#N

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Molecular Weight: 432.35
Empirical Formula: C23H23Cl2NO3

Physical State: Dry powder
Available Amount: 695 mg

Lipinsky:
logP: 6.269
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 2

     

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