COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118226
Chemical Name: (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1Br)/C(=O)N1CCCCC1

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Molecular Weight: 363.21
Empirical Formula: C16H15BrN2O3

Physical State: Dry powder
Available Amount: 215 mg

Lipinsky:
logP: 3.418
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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