COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK084486
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
Smiles: CN1CCN(CC1)C(=O)/C=C/c1ccc2c(c1)OCO2

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Saltdata: HCl
Molecular Weight: 274.32
Empirical Formula: C15H18N2O3

Physical State: Dry powder
Available Amount: 338 mg

Lipinsky:
logP: 1.749
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 42
Number of rings: 3

     

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