COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK293103
Chemical Name: 4-[(Z)-2-{3-bromo-4-[(4-nitrobenzyl)oxy]phenyl}-1-cyanoethenyl]benzonitrile
Smiles: N#Cc1ccc(cc1)/C(=C/c1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 460.29
Empirical Formula: C23H14BrN3O3

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 6.015
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 3

     

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