COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK415180
Chemical Name: (2E)-2-{4-[(2-fluorobenzyl)oxy]benzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccccc1F)/C(=O)C(C)(C)C

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Molecular Weight: 337.39
Empirical Formula: C21H20FNO2

Physical State: Dry powder
Available Amount: 390 mg

Lipinsky:
logP: 4.705
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 50
Number of rings: 2

     

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