COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK117936
Chemical Name: (2E)-3-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1Cl)Cl)/C(=O)N1CCCCC1

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Molecular Weight: 494.21
Empirical Formula: C22H19BrCl2N2O2

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 5.828
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 53
Number of rings: 3

     

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