COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK417623
Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethylbutan-1-one
Smiles: CCC(C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)CC

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Molecular Weight: 318.42
Empirical Formula: C18H26N2O3

Physical State: Liquid
Available Amount: 385 mg

Lipinsky:
logP: 2.959
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 42
Number of rings: 3

     

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