COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK439014
Chemical Name: 2-ethyl-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}hexan-1-one
Smiles: CCCCC(C(=O)N1CCN(CC1)C/C=C/c1ccccc1)CC

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Molecular Weight: 328.5
Empirical Formula: C21H32N2O

Physical State: Liquid
Available Amount: 447 mg

Lipinsky:
logP: 4.848
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 23
Number of rings: 2

     

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