COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118402
Chemical Name: (2E)-3-{3-[(2,4-dichlorobenzyl)oxy]phenyl}-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)OCc1ccc(cc1Cl)Cl)/C(=O)N1CCCCC1

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Molecular Weight: 415.32
Empirical Formula: C22H20Cl2N2O2

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 5.225
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 53
Number of rings: 3

     

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