COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418010
Chemical Name: (2E)-2-[3-ethoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-4,4-dimethyl-3-oxopentanenitrile
Smiles: CCOc1cc(ccc1OCc1cccc2c1cccc2)/C=C(/C(=O)C(C)(C)C)\C#N

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Molecular Weight: 413.52
Empirical Formula: C27H27NO3

Physical State: Dry powder
Available Amount: 346 mg

Lipinsky:
logP: 6.297
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 3

     

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