COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK138160
Chemical Name: (2E)-3-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-])/C(=O)N1CCCCC1

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Molecular Weight: 500.35
Empirical Formula: C23H22BrN3O5

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 4.357
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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