COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK137690
Chemical Name: (2E)-2-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: CCOc1cc(ccc1OCc1ccccc1Cl)/C=C(/C(=O)C(C)(C)C)\C#N

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Molecular Weight: 397.9
Empirical Formula: C23H24ClNO3

Physical State: Dry powder
Available Amount: 329 mg

Lipinsky:
logP: 5.661
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 2

     

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