COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201492
Chemical Name: (2E)-3-{3-bromo-4-[(2-fluorobenzyl)oxy]phenyl}-2-(3-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)Br)OCc1ccccc1F)/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 453.27
Empirical Formula: C22H14BrFN2O3

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 6.67
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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