COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829052
Chemical Name: (2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-butyl-2-cyanoprop-2-enamide
Smiles: CCCCNC(=O)/C(=C/N1CCN(CC1)Cc1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 370.45
Empirical Formula: C20H26N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.041
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 77
Number of rings: 3

     

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