COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021038
Chemical Name: (2E)-3-{4-[(4-bromobenzyl)oxy]phenyl}-2-(phenylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)Br)/C(=O)c1ccccc1

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Molecular Weight: 418.29
Empirical Formula: C23H16BrNO2

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 6.037
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 50
Number of rings: 3

     

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